CAS RN: 102253-69-0
CAS Name: (6S,7S)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[4-(2-oxazolyl)-1-pyridin-1-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate
OPENEYE Name: (6S,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(4-oxazol-2-ylpyridin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate
IUPAC Name: (6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[4-(1,3-oxazol-2-yl)pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate
SYSTEMATIC NAME: (6S,7S)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[4-(1,3-oxazol-2-yl)pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate
MOLECULAR FORMULA: C22H23N7O8S2
MOLECULAR WEIGHT: 577.59012
SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(C=C4)C5=NC=CO5)C(=O)[O-].O.O
Structure:
CAS RN: 102206-82-6
CAS Name: 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)-1-propanol
OPENEYE Name: 2-[2,6-bis[2,2,2-trifluoro-1-(hydroxymethyl)-1-(trifluoromethyl)ethyl]-4-pyridyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
IUPAC Name: 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]pyridin-4-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SYSTEMATIC NAME: 2-[2,6-bis[1,1,1,3,3,3-hexakis(fluoranyl)-2-(hydroxymethyl)propan-2-yl]pyridin-4-yl]-3,3,3-tris(fluoranyl)-2-(trifluoromethyl)propan-1-ol
MOLECULAR FORMULA: C17H11F18NO3
MOLECULAR WEIGHT: 619.245398
SMILES: C1=C(C=C(N=C1C(CO)(C(F)(F)F)C(F)(F)F)C(CO)(C(F)(F)F)C(F)(F)F)C(CO)(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 102206-76-8
CAS Name: 1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,6-dihydro-2H-pyridine hydrochloride
OPENEYE Name: 1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-3,6-dihydro-2H-pyridine hydrochloride
IUPAC Name: 1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,6-dihydro-2H-pyridine hydrochloride
SYSTEMATIC NAME: 1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-3,6-dihydro-2H-pyridine hydrochloride
MOLECULAR FORMULA: C17H26ClNO
MOLECULAR WEIGHT: 295.84744
SMILES: CC1=CC(=C(C=C1)C(C)C)OCCN2CCC=CC2.Cl
Structure:
CAS RN: 102206-71-3
CAS Name: 3-[1-(5-nitro-1H-imidazol-2-yl)ethylthio]-1-oxidopyridin-1-ium
OPENEYE Name: 3-[1-(5-nitro-1H-imidazol-2-yl)ethylsulfanyl]-1-oxido-pyridin-1-ium
IUPAC Name: 3-[1-(5-nitro-1H-imidazol-2-yl)ethylsulfanyl]-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 3-[1-(5-nitro-1H-imidazol-2-yl)ethylsulfanyl]-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C10H10N4O3S
MOLECULAR WEIGHT: 266.2764
SMILES: CC(C1=NC=C(N1)[N+](=O)[O-])SC2=C[N+](=CC=C2)[O-]
Structure:
CAS RN: 102206-70-2
CAS Name: 1-(4,5-dihydrooxazol-2-yl)-5-methyl-2H-pyridin-6-amine hydrochloride
OPENEYE Name: 1-(4,5-dihydrooxazol-2-yl)-5-methyl-2H-pyridin-6-amine hydrochloride
IUPAC Name: 1-(4,5-dihydro-1,3-oxazol-2-yl)-5-methyl-2H-pyridin-6-amine hydrochloride
SYSTEMATIC NAME: 1-(4,5-dihydro-1,3-oxazol-2-yl)-5-methyl-2H-pyridin-6-amine hydrochloride
MOLECULAR FORMULA: C9H14ClN3O
MOLECULAR WEIGHT: 215.67996
SMILES: CC1=C(N(CC=C1)C2=NCCO2)N.Cl
Structure:
CAS RN: 102206-69-9
CAS Name: 2-(1-hydroxycyclopentyl)-2-phenylacetic acid (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl ester
OPENEYE Name: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-(1-hydroxycyclopentyl)-2-phenyl-acetate
IUPAC Name: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
SYSTEMATIC NAME: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate
MOLECULAR FORMULA: C20H27NO3
MOLECULAR WEIGHT: 329.43328
SMILES: CN1CCC(=CC1)COC(=O)C(C2=CC=CC=C2)C3(CCCC3)O
Structure:
CAS RN: 102206-66-6
CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl ester hydrochloride
OPENEYE Name: (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-2,2-diphenyl-acetate hydrochloride
IUPAC Name: (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C22H26ClNO3
MOLECULAR WEIGHT: 387.89974
SMILES: CC1=C(CN(CC1)C)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 102206-65-5
CAS Name: 2-hydroxy-2-(2-pyridinyl)-3-pentynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester
OPENEYE Name: quinuclidin-3-yl 2-hydroxy-2-(2-pyridyl)pent-3-ynoate
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-pyridin-2-ylpent-3-ynoate
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-pyridin-2-yl-pent-3-ynoate
MOLECULAR FORMULA: C17H20N2O3
MOLECULAR WEIGHT: 300.3523
SMILES: CC#CC(C1=CC=CC=N1)(C(=O)OC2CN3CCC2CC3)O
Structure:
CAS RN: 97155-42-5
CAS Name: N'-[2-(5-ethyl-2-pyridinyl)ethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine; 2,4,6-trinitrophenol
OPENEYE Name: N'-[2-(5-ethyl-2-pyridyl)ethyl]-N,N-dimethyl-N'-phenyl-propane-1,3-diamine; picric acid
IUPAC Name: N'-[2-(5-ethylpyridin-2-yl)ethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: N'-[2-(5-ethylpyridin-2-yl)ethyl]-N,N-dimethyl-N'-phenyl-propane-1,3-diamine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C32H35N9O14
MOLECULAR WEIGHT: 769.6722
SMILES: CCC1=CN=C(C=C1)CCN(CCCN(C)C)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 102206-53-1
CAS Name: 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)-1-propanol
OPENEYE Name: 3,3,3-trifluoro-2-[2-methyl-6-[2,2,2-trifluoro-1-(hydroxymethyl)-1-(trifluoromethyl)ethyl]-4-pyridyl]-2-(trifluoromethyl)propan-1-ol
IUPAC Name: 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methylpyridin-4-yl]-2-(trifluoromethyl)propan-1-ol
SYSTEMATIC NAME: 3,3,3-tris(fluoranyl)-2-[2-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(hydroxymethyl)propan-2-yl]-6-methyl-pyridin-4-yl]-2-(trifluoromethyl)propan-1-ol
MOLECULAR FORMULA: C14H11F12NO2
MOLECULAR WEIGHT: 453.223478
SMILES: CC1=NC(=CC(=C1)C(CO)(C(F)(F)F)C(F)(F)F)C(CO)(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 102206-52-0
CAS Name: 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-3,3,3-trifluoro-1-propanol
OPENEYE Name: 2-[chloro(difluoro)methyl]-2-[2-[1-[chloro(difluoro)methyl]-2,2,2-trifluoro-1-(hydroxymethyl)ethyl]-6-methyl-4-pyridyl]-3,3,3-trifluoro-propan-1-ol
IUPAC Name: 2-[chloro(difluoro)methyl]-2-[2-[1-chloro-1,1,3,3,3-pentafluoro-2-(hydroxymethyl)propan-2-yl]-6-methylpyridin-4-yl]-3,3,3-trifluoropropan-1-ol
SYSTEMATIC NAME: 2-[chloranyl-bis(fluoranyl)methyl]-2-[2-[1-chloranyl-1,1,3,3,3-pentakis(fluoranyl)-2-(hydroxymethyl)propan-2-yl]-6-methyl-pyridin-4-yl]-3,3,3-tris(fluoranyl)propan-1-ol
MOLECULAR FORMULA: C14H11Cl2F10NO2
MOLECULAR WEIGHT: 486.132672
SMILES: CC1=NC(=CC(=C1)C(CO)(C(F)(F)F)C(F)(F)Cl)C(CO)(C(F)(F)F)C(F)(F)Cl
Structure:
CAS RN: 104757-53-1
CAS Name: (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl] ester hydrochloride
OPENEYE Name: O5-[(3R)-1-benzylpyrrolidin-3-yl] O3-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC Name: 5-O-[(3R)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SYSTEMATIC NAME: O3-methyl O5-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl] (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
MOLECULAR FORMULA: C27H30ClN3O6
MOLECULAR WEIGHT: 527.9966
SMILES: CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
Structure:
CAS RN: 102336-14-1
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl] ester O3-methyl ester hydrochloride
OPENEYE Name: O5-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC Name: 5-O-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SYSTEMATIC NAME: O5-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
MOLECULAR FORMULA: C35H45ClN4O8
MOLECULAR WEIGHT: 685.2068
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl
Structure:
CAS RN: 102336-20-9
CAS Name: 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]propan-2-yl] ester O3-(2-propoxyethyl) ester hydrate hydrochloride
OPENEYE Name: O5-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]-1-methyl-ethyl] O3-(2-propoxyethyl) 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate hydrate hydrochloride
IUPAC Name: 5-O-[1-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]propan-2-yl] 3-O-(2-propoxyethyl) 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate hydrate hydrochloride
SYSTEMATIC NAME: O5-[1-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]propan-2-yl] O3-(2-propoxyethyl) 4-[2,3-bis(chloranyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate hydrate hydrochloride
MOLECULAR FORMULA: C40H56Cl3N3O8
MOLECULAR WEIGHT: 813.24694
SMILES: CCCOCCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC(C)CN(C)CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)C(C)C)C)C.O.Cl
Structure:
CAS RN: 102336-18-5
CAS Name: 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]propan-2-yl] ester O3-(2-methylpropyl) ester hydrate hydrochloride
OPENEYE Name: O5-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]-1-methyl-ethyl] O3-isobutyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate hydrate hydrochloride
IUPAC Name: 5-O-[1-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]propan-2-yl] 3-O-(2-methylpropyl) 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate hydrate hydrochloride
SYSTEMATIC NAME: O5-[1-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]propan-2-yl] O3-(2-methylpropyl) 4-[2,3-bis(chloranyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate hydrate hydrochloride
MOLECULAR FORMULA: C39H54Cl3N3O7
MOLECULAR WEIGHT: 783.22096
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)CN(C)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)C3=C(C(=CC=C3)Cl)Cl)C(=O)OCC(C)C.O.Cl
Structure:
CAS RN: 97191-93-0
CAS Name: N'-(3-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine; 2,4,6-trinitrophenol
OPENEYE Name: N'-(3-chlorophenyl)-N,N-dimethyl-N'-[2-(4-pyridyl)ethyl]propane-1,3-diamine; picric acid
IUPAC Name: N'-(3-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: N'-(3-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C30H30ClN9O14
MOLECULAR WEIGHT: 776.0641
SMILES: CN(C)CCCN(CCC1=CC=NC=C1)C2=CC(=CC=C2)Cl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 96269-86-2
CAS Name: N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine; 2,4,6-trinitrophenol
OPENEYE Name: N'-(4-chlorophenyl)-N,N-dimethyl-N'-[2-(4-pyridyl)ethyl]ethane-1,2-diamine; picric acid
IUPAC Name: N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C29H28ClN9O14
MOLECULAR WEIGHT: 762.03752
SMILES: CN(C)CCN(CCC1=CC=NC=C1)C2=CC=C(C=C2)Cl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 91702-97-5
CAS Name: 3-[(2-mercapto-2-methyl-1-oxopropyl)amino]-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-[(2-methyl-2-sulfanyl-propanoyl)amino]pyridine-2-carboxylate
IUPAC Name: methyl 3-[(2-methyl-2-sulfanylpropanoyl)amino]pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(2-methyl-2-sulfanyl-propanoyl)amino]pyridine-2-carboxylate
MOLECULAR FORMULA: C11H14N2O3S
MOLECULAR WEIGHT: 254.30546
SMILES: CC(C)(C(=O)NC1=C(N=CC=C1)C(=O)OC)S
Structure:
CAS RN: 91702-96-4
CAS Name: 3-[[2-(acetylthio)-2-methyl-1-oxopropyl]amino]-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-[(2-acetylsulfanyl-2-methyl-propanoyl)amino]pyridine-2-carboxylate
IUPAC Name: methyl 3-[(2-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(2-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyridine-2-carboxylate
MOLECULAR FORMULA: C13H16N2O4S
MOLECULAR WEIGHT: 296.34214
SMILES: CC(=O)SC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)OC
Structure:
CAS RN: 104545-48-4
CAS Name: N-[2-[[oxo-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]amino]ethyl]-2-pyridinecarboxamide dihydrochloride
OPENEYE Name: N-[2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]ethyl]pyridine-2-carboxamide dihydrochloride
IUPAC Name: N-[2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]ethyl]pyridine-2-carboxamide dihydrochloride
SYSTEMATIC NAME: N-[2-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonylamino]ethyl]pyridine-2-carboxamide dihydrochloride
MOLECULAR FORMULA: C17H26Cl2N4O2
MOLECULAR WEIGHT: 389.31994
SMILES: CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C2=CC=CC=N2)C.Cl.Cl
Structure:
CAS RN: 103181-78-8
CAS Name: 3-pyridinecarbothioic acid O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl]-2-oxoethyl] ester
OPENEYE Name: O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]thiazolidin-3-yl]-2-oxo-ethyl] pyridine-3-carbothioate
IUPAC Name: O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] pyridine-3-carbothioate
SYSTEMATIC NAME: O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxidanylidene-ethyl] pyridine-3-carbothioate
MOLECULAR FORMULA: C19H20N2O4S2
MOLECULAR WEIGHT: 404.5031
SMILES: COC1=CC=CC=C1OC[C@H]2N(CCS2)C(=O)COC(=S)C3=CN=CC=C3
Structure:
CAS RN: 103607-57-4
CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-(2-phenylethylamino)-3-pyridinecarbonitrile hydrate dihydrochloride
OPENEYE Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-4-(2-phenylethylamino)pyridine-3-carbonitrile hydrate dihydrochloride
IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-(2-phenylethylamino)pyridine-3-carbonitrile hydrate dihydrochloride
SYSTEMATIC NAME: 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-4-(2-phenylethylamino)pyridine-3-carbonitrile hydrate dihydrochloride
MOLECULAR FORMULA: C20H30Cl2N4O3
MOLECULAR WEIGHT: 445.3832
SMILES: CC(C)NCC(COC1=NC=CC(=C1C#N)NCCC2=CC=CC=C2)O.O.Cl.Cl
Structure:
CAS RN: 103607-56-3
CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-(4-methoxyanilino)-3-pyridinecarbonitrile hydrate dihydrochloride
OPENEYE Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-4-(4-methoxyanilino)pyridine-3-carbonitrile hydrate dihydrochloride
IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-(4-methoxyanilino)pyridine-3-carbonitrile hydrate dihydrochloride
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)amino]-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]pyridine-3-carbonitrile hydrate dihydrochloride
MOLECULAR FORMULA: C19H28Cl2N4O4
MOLECULAR WEIGHT: 447.35602
SMILES: CC(C)NCC(COC1=NC=CC(=C1C#N)NC2=CC=C(C=C2)OC)O.O.Cl.Cl
Structure:
CAS RN: 102207-54-5
CAS Name: 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetic acid 2-[2-(1-piperidinyl)ethoxy]ethyl ester dihydrochloride
OPENEYE Name: 2-[2-(1-piperidyl)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenyl-acetate dihydrochloride
IUPAC Name: 2-(2-piperidin-1-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate dihydrochloride
SYSTEMATIC NAME: 2-(2-piperidin-1-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenyl-ethanoate dihydrochloride
MOLECULAR FORMULA: C22H34Cl2N2O3
MOLECULAR WEIGHT: 445.42296
SMILES: C1CCN(CC1)CCOCCOC(=O)C(C2=CC=CC=C2)N3CCC=CC3.Cl.Cl
Structure:
CAS RN: 102207-53-4
CAS Name: 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetic acid 2-[2-(4-morpholinyl)ethoxy]ethyl ester dihydrochloride
OPENEYE Name: 2-(2-morpholinoethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenyl-acetate dihydrochloride
IUPAC Name: 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate dihydrochloride
SYSTEMATIC NAME: 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenyl-ethanoate dihydrochloride
MOLECULAR FORMULA: C21H32Cl2N2O4
MOLECULAR WEIGHT: 447.39578
SMILES: C1CN(CC=C1)C(C2=CC=CC=C2)C(=O)OCCOCCN3CCOCC3.Cl.Cl
Structure:
CAS RN: 102207-52-3
CAS Name: 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetic acid 2-[2-(diethylamino)ethoxy]ethyl ester dihydrochloride
OPENEYE Name: 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenyl-acetate dihydrochloride
IUPAC Name: 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate dihydrochloride
SYSTEMATIC NAME: 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenyl-ethanoate dihydrochloride
MOLECULAR FORMULA: C21H34Cl2N2O3
MOLECULAR WEIGHT: 433.41226
SMILES: CCN(CC)CCOCCOC(=O)C(C1=CC=CC=C1)N2CCC=CC2.Cl.Cl
Structure:
CAS RN: 102207-51-2
CAS Name: 2-propan-2-yl-2-(2-pyridinyl)-4-pentenamide
OPENEYE Name: 2-isopropyl-2-(2-pyridyl)pent-4-enamide
IUPAC Name: 2-propan-2-yl-2-pyridin-2-ylpent-4-enamide
SYSTEMATIC NAME: 2-propan-2-yl-2-pyridin-2-yl-pent-4-enamide
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC(C)C(CC=C)(C1=CC=CC=N1)C(=O)N
Structure:
CAS RN: 104257-57-0
CAS Name: 5-(4-morpholinylmethyl)-6-phenyl-N-[(Z)-1-phenylethylideneamino]-3-pyridazinamine
OPENEYE Name: 5-(morpholinomethyl)-6-phenyl-N-[(Z)-1-phenylethylideneamino]pyridazin-3-amine
IUPAC Name: 5-(morpholin-4-ylmethyl)-6-phenyl-N-[(Z)-1-phenylethylideneamino]pyridazin-3-amine
SYSTEMATIC NAME: 5-(morpholin-4-ylmethyl)-6-phenyl-N-[(Z)-1-phenylethylideneamino]pyridazin-3-amine
MOLECULAR FORMULA: C23H25N5O
MOLECULAR WEIGHT: 387.4775
SMILES: C/C(=N/NC1=NN=C(C(=C1)CN2CCOCC2)C3=CC=CC=C3)/C4=CC=CC=C4
Structure:
CAS RN: 104257-58-1
CAS Name: N-[(E)-butan-2-ylideneamino]-5-(4-morpholinylmethyl)-6-phenyl-3-pyridazinamine
OPENEYE Name: N-[(E)-1-methylpropylideneamino]-5-(morpholinomethyl)-6-phenyl-pyridazin-3-amine
IUPAC Name: N-[(E)-butan-2-ylideneamino]-5-(morpholin-4-ylmethyl)-6-phenylpyridazin-3-amine
SYSTEMATIC NAME: N-[(E)-butan-2-ylideneamino]-5-(morpholin-4-ylmethyl)-6-phenyl-pyridazin-3-amine
MOLECULAR FORMULA: C19H25N5O
MOLECULAR WEIGHT: 339.4347
SMILES: CC/C(=N/NC1=NN=C(C(=C1)CN2CCOCC2)C3=CC=CC=C3)/C
Structure:
CAS RN: 104257-56-9
CAS Name: 5-(4-morpholinylmethyl)-6-phenyl-N-(propan-2-ylideneamino)-3-pyridazinamine
OPENEYE Name: N-(isopropylideneamino)-5-(morpholinomethyl)-6-phenyl-pyridazin-3-amine
IUPAC Name: 5-(morpholin-4-ylmethyl)-6-phenyl-N-(propan-2-ylideneamino)pyridazin-3-amine
SYSTEMATIC NAME: 5-(morpholin-4-ylmethyl)-6-phenyl-N-(propan-2-ylideneamino)pyridazin-3-amine
MOLECULAR FORMULA: C18H23N5O
MOLECULAR WEIGHT: 325.40812
SMILES: CC(=NNC1=NN=C(C(=C1)CN2CCOCC2)C3=CC=CC=C3)C
Structure:
CAS RN: 94011-19-5
CAS Name: 3-[2-(4-morpholinyl)ethylamino]-6-(1-naphthalenyl)-4-pyridazinecarbonitrile dihydrochloride
OPENEYE Name: 3-(2-morpholinoethylamino)-6-(1-naphthyl)pyridazine-4-carbonitrile dihydrochloride
IUPAC Name: 3-(2-morpholin-4-ylethylamino)-6-naphthalen-1-ylpyridazine-4-carbonitrile dihydrochloride
SYSTEMATIC NAME: 3-(2-morpholin-4-ylethylamino)-6-naphthalen-1-yl-pyridazine-4-carbonitrile dihydrochloride
MOLECULAR FORMULA: C21H23Cl2N5O
MOLECULAR WEIGHT: 432.34622
SMILES: C1COCCN1CCNC2=NN=C(C=C2C#N)C3=CC=CC4=CC=CC=C43.Cl.Cl
Structure:
CAS RN: 92458-35-0
CAS Name: 8-fluoro-2-(3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one hydrochloride
OPENEYE Name: 8-fluoro-2-(3-pyridyl)-1H-pyrazolo[4,3-c]quinolin-3-one hydrochloride
IUPAC Name: 8-fluoro-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one hydrochloride
SYSTEMATIC NAME: 8-fluoranyl-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one hydrochloride
MOLECULAR FORMULA: C15H10ClFN4O
MOLECULAR WEIGHT: 316.717503
SMILES: C1=CC(=CN=C1)N2C(=O)C3=CN=C4C=CC(=CC4=C3N2)F.Cl
Structure:
CAS RN: 104416-82-2
CAS Name: 2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-1-phenyl-5-propyl-3-pyrazolone hydrochloride
OPENEYE Name: 2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-1-phenyl-5-propyl-pyrazol-3-one hydrochloride
IUPAC Name: 2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenyl-5-propylpyrazol-3-one hydrochloride
SYSTEMATIC NAME: 2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenyl-5-propyl-pyrazol-3-one hydrochloride
MOLECULAR FORMULA: C25H34ClN5O
MOLECULAR WEIGHT: 456.02336
SMILES: CCCC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=NC=CC(=C4)C.Cl
Structure:
CAS RN: 104417-33-6
CAS Name: 5-methyl-1-phenyl-2-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-3-pyrazolone hydrate trihydrochloride
OPENEYE Name: 5-methyl-1-phenyl-2-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]pyrazol-3-one hydrate trihydrochloride
IUPAC Name: 5-methyl-1-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one hydrate trihydrochloride
SYSTEMATIC NAME: 5-methyl-1-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one hydrate trihydrochloride
MOLECULAR FORMULA: C22H32Cl3N5O2
MOLECULAR WEIGHT: 504.88078
SMILES: CC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=CC=CC=N4.O.Cl.Cl.Cl
Structure:
CAS RN: 104416-78-6
CAS Name: 5-methyl-1-phenyl-2-[3-(4-phenyl-1-piperazinyl)propyl]-3-pyrazolone dihydrochloride
OPENEYE Name: 5-methyl-1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyrazol-3-one dihydrochloride
IUPAC Name: 5-methyl-1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyrazol-3-one dihydrochloride
SYSTEMATIC NAME: 5-methyl-1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyrazol-3-one dihydrochloride
MOLECULAR FORMULA: C23H30Cl2N4O
MOLECULAR WEIGHT: 449.4165
SMILES: CC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 104417-37-0
CAS Name: 1-(4-methoxyphenyl)-5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-3-pyrazolone hydrochloride
OPENEYE Name: 1-(4-methoxyphenyl)-5-methyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]pyrazol-3-one hydrochloride
IUPAC Name: 1-(4-methoxyphenyl)-5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]pyrazol-3-one hydrochloride
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]pyrazol-3-one hydrochloride
MOLECULAR FORMULA: C24H32ClN5O2
MOLECULAR WEIGHT: 457.99618
SMILES: CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=C(C=C4)OC)C.Cl
Structure:
CAS RN: 104416-96-8
CAS Name: 1-(2-methoxyphenyl)-5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-3-pyrazolone trihydrochloride
OPENEYE Name: 1-(2-methoxyphenyl)-5-methyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]pyrazol-3-one trihydrochloride
IUPAC Name: 1-(2-methoxyphenyl)-5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]pyrazol-3-one trihydrochloride
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]pyrazol-3-one trihydrochloride
MOLECULAR FORMULA: C24H34Cl3N5O2
MOLECULAR WEIGHT: 530.91806
SMILES: CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=CC=C4OC)C.Cl.Cl.Cl
Structure:
CAS RN: 104417-05-2
CAS Name: 5-hexyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-1-phenyl-3-pyrazolone trihydrochloride
OPENEYE Name: 5-hexyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one trihydrochloride
IUPAC Name: 5-hexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenylpyrazol-3-one trihydrochloride
SYSTEMATIC NAME: 5-hexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one trihydrochloride
MOLECULAR FORMULA: C28H42Cl3N5O
MOLECULAR WEIGHT: 571.02498
SMILES: CCCCCCC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=NC=CC(=C4)C.Cl.Cl.Cl
Structure:
CAS RN: 104417-25-6
CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-5-methyl-1-(4-nitrophenyl)-3-pyrazolone dihydrochloride
OPENEYE Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-nitrophenyl)pyrazol-3-one dihydrochloride
IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-nitrophenyl)pyrazol-3-one dihydrochloride
SYSTEMATIC NAME: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-nitrophenyl)pyrazol-3-one dihydrochloride
MOLECULAR FORMULA: C23H28Cl2FN5O3
MOLECULAR WEIGHT: 512.404523
SMILES: CC1=CC(=O)N(N1C2=CC=C(C=C2)[N+](=O)[O-])CCCN3CCN(CC3)C4=CC=C(C=C4)F.Cl.Cl
Structure:
CAS RN: 104416-86-6
CAS Name: 5-cyclohexyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-1-phenyl-3-pyrazolone tetrahydrochloride
OPENEYE Name: 5-cyclohexyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one tetrahydrochloride
IUPAC Name: 5-cyclohexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenylpyrazol-3-one tetrahydrochloride
SYSTEMATIC NAME: 5-cyclohexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one tetrahydrochloride
MOLECULAR FORMULA: C28H41Cl4N5O
MOLECULAR WEIGHT: 605.47004
SMILES: CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=CC=C4)C5CCCCC5.Cl.Cl.Cl.Cl
Structure:
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