CAS RN: 5298-58-8
CAS Name: N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1-imidazolyl)acetamide
OPENEYE Name: N-[(3,4-dimethoxyphenyl)methyleneamino]-2-(2-methylimidazol-1-yl)acetamide
IUPAC Name: N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylimidazol-1-yl)acetamide
SYSTEMATIC NAME: N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C15H18N4O3
MOLECULAR WEIGHT: 302.32842
SMILES: CC1=NC=CN1CC(=O)NN=CC2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 5696-21-9
CAS Name: [2-(4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(5-methyl-1-phenyl-4-pyrazolyl)methanolate
OPENEYE Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(p-tolyl)pyrrolidin-3-ylidene]methanolate
IUPAC Name: [2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate
SYSTEMATIC NAME: [2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate
MOLECULAR FORMULA: C29H32N4O4
MOLECULAR WEIGHT: 500.58878
SMILES: CC1=CC=C(C=C1)C2C(=C(C3=C(N(N=C3)C4=CC=CC=C4)C)[O-])C(=O)C(=O)N2CCC[NH+]5CCOCC5
Structure:
CAS RN: 5783-39-1
CAS Name: N'-[(3-nitrophenyl)methylideneamino]carbamimidothioic acid [1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl] ester
OPENEYE Name: 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-[(3-nitrophenyl)methyleneamino]isothiourea
IUPAC Name: [1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(3-nitrophenyl)methylideneamino]carbamimidothioate
SYSTEMATIC NAME: [1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(3-nitrophenyl)methylideneamino]carbamimidothioate
MOLECULAR FORMULA: C18H14BrN5O4S
MOLECULAR WEIGHT: 476.30386
SMILES: C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC(=NN=CC3=CC(=CC=C3)[N+](=O)[O-])N
Structure:
CAS RN: 5194-04-7
CAS Name: 6-(2,6-dimethyl-4-morpholinyl)-3-methyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
IUPAC Name: 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H17N3O3
MOLECULAR WEIGHT: 239.27098
SMILES: CC1CN(CC(O1)C)C2=CC(=O)N(C(=O)N2)C
Structure:
CAS RN: 6704-07-0
CAS Name: (3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanol
OPENEYE Name: (4-benzyloxy-3-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanol
IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanol
SYSTEMATIC NAME: (3-methoxy-4-phenylmethoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methanol
MOLECULAR FORMULA: C19H21N2O3+
MOLECULAR WEIGHT: 325.38164
SMILES: C[N+]1=C(NC=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)O
Structure:
CAS RN: 4527-53-1
CAS Name: N-[(4-tert-butylcyclohexylidene)amino]-3-methylbutanamide
OPENEYE Name: N-[(4-tert-butylcyclohexylidene)amino]-3-methyl-butanamide
IUPAC Name: N-[(4-tert-butylcyclohexylidene)amino]-3-methylbutanamide
SYSTEMATIC NAME: N-[(4-tert-butylcyclohexylidene)amino]-3-methyl-butanamide
MOLECULAR FORMULA: C15H28N2O
MOLECULAR WEIGHT: 252.39562
SMILES: CC(C)CC(=O)NN=C1CCC(CC1)C(C)(C)C
Structure:
CAS RN: 6364-57-4
CAS Name: N-[4-(4-ethylphenyl)-2-thiazolyl]-3-(4-methoxyphenyl)-2-propenamide
OPENEYE Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
IUPAC Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C21H20N2O2S
MOLECULAR WEIGHT: 364.4607
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CC3=CC=C(C=C3)OC
Structure:
CAS RN: 6357-83-1
CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-cyclohexylpropanamide
OPENEYE Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-cyclohexyl-propanamide
IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-cyclohexylpropanamide
SYSTEMATIC NAME: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-cyclohexyl-propanamide
MOLECULAR FORMULA: C19H26N2OS
MOLECULAR WEIGHT: 330.48754
SMILES: CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3CCCCC3
Structure:
CAS RN: 7471-83-2
CAS Name: N-(2-furanylmethyl)-6-(1-piperidinyl)-7H-purin-2-amine
OPENEYE Name: N-(2-furylmethyl)-6-(1-piperidyl)-7H-purin-2-amine
IUPAC Name: N-(furan-2-ylmethyl)-6-piperidin-1-yl-7H-purin-2-amine
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-6-piperidin-1-yl-7H-purin-2-amine
MOLECULAR FORMULA: C15H18N6O
MOLECULAR WEIGHT: 298.34302
SMILES: C1CCN(CC1)C2=NC(=NC3=C2NC=N3)NCC4=CC=CO4
Structure:
CAS RN: 90302-14-0
CAS Name: [3,4-dihydroxy-5-[3-oxo-6-(phenylmethylthio)-5-sulfanylidene-1,2,4-triazin-2-yl]-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [5-(6-benzylsulfanyl-3-oxo-5-thioxo-1,2,4-triazin-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [5-(6-benzylsulfanyl-3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [3,4-bis(oxidanyl)-5-[3-oxidanylidene-6-(phenylmethylsulfanyl)-5-sulfanylidene-1,2,4-triazin-2-yl]oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C15H18N3O8PS2
MOLECULAR WEIGHT: 463.422481
SMILES: C1=CC=C(C=C1)CSC2=NN(C(=O)NC2=S)C3C(C(C(O3)COP(=O)(O)O)O)O
Structure:
CAS RN: 4830-01-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H23N5O3
MOLECULAR WEIGHT: 417.46042
SMILES: COCCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCC4=CC=CC=C4
Structure:
CAS RN: 6060-67-9
CAS Name: 6a,9a-dichloro-2-hydroxy-6-(3-hydroxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6a,9a-dichloro-2-hydroxy-6-(3-hydroxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6a,9a-dichloro-2-hydroxy-6-(3-hydroxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-(3-hydroxyphenyl)-2-oxidanyl-8-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C26H15Cl2F5N2O6
MOLECULAR WEIGHT: 617.305116
SMILES: C1C=C2C(CC3(C(=O)N(C(=O)C3(C2C4=CC(=CC=C4)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)C6C1C(=O)N(C6=O)O
Structure:
CAS RN: 6058-84-0
CAS Name: 6a,9a-dichloro-6-(3-ethoxy-2-hydroxyphenyl)-2-methyl-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6a,9a-dichloro-6-(3-ethoxy-2-hydroxy-phenyl)-2-methyl-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6a,9a-dichloro-6-(3-ethoxy-2-hydroxyphenyl)-2-methyl-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-(3-ethoxy-2-oxidanyl-phenyl)-2-methyl-8-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C29H21Cl2F5N2O6
MOLECULAR WEIGHT: 659.384856
SMILES: CCOC1=CC=CC(=C1O)C2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C
Structure:
CAS RN: 4793-80-0
CAS Name: 6-chloro-9-(3,4-dimethoxyphenyl)-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
OPENEYE Name: 6-chloro-9-(3,4-dimethoxyphenyl)-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
IUPAC Name: 6-chloro-9-(3,4-dimethoxyphenyl)-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SYSTEMATIC NAME: 6-chloranyl-9-(3,4-dimethoxyphenyl)-4-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
MOLECULAR FORMULA: C25H20ClNO5
MOLECULAR WEIGHT: 449.883
SMILES: COC1=C(C=C(C=C1)N2CC3=C4C(=CC(=C3OC2)Cl)C(=CC(=O)O4)C5=CC=CC=C5)OC
Structure:
CAS RN: 5631-61-8
CAS Name: 2-(4-butylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-5-oxazolone
OPENEYE Name: 2-(4-butylphenyl)-4-[(4-isopropylphenyl)methylene]oxazol-5-one
IUPAC Name: 2-(4-butylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
SYSTEMATIC NAME: 2-(4-butylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
MOLECULAR FORMULA: C23H25NO2
MOLECULAR WEIGHT: 347.4501
SMILES: CCCCC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)C(C)C)C(=O)O2
Structure:
CAS RN: 6162-95-4
CAS Name: N-[(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
OPENEYE Name: N-[(5-bromo-2-isopropoxy-phenyl)methyleneamino]-2,2,3,3,4,4,4-heptafluoro-butanamide
IUPAC Name: N-[(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
SYSTEMATIC NAME: N-[(5-bromanyl-2-propan-2-yloxy-phenyl)methylideneamino]-2,2,3,3,4,4,4-heptakis(fluoranyl)butanamide
MOLECULAR FORMULA: C14H12BrF7N2O2
MOLECULAR WEIGHT: 453.150102
SMILES: CC(C)OC1=C(C=C(C=C1)Br)C=NNC(=O)C(C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 6162-34-1
CAS Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
OPENEYE Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[5-[(4-chlorophenoxy)methyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
IUPAC Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-1-(2-chloranyl-4-nitro-phenyl)-4-[5-[(4-chloranylphenoxy)methyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C33H30Cl2N4O4
MOLECULAR WEIGHT: 617.5217
SMILES: CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N)COC5=CC=C(C=C5)Cl)C
Structure:
CAS RN: 6158-66-3
CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
OPENEYE Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide
IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
SYSTEMATIC NAME: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide
MOLECULAR FORMULA: C16H14N4O6S
MOLECULAR WEIGHT: 390.37056
SMILES: CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C
Structure:
CAS RN: 5925-72-4
CAS Name: 1-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone
OPENEYE Name: 1-[4-(2-chloro-4-nitro-benzoyl)-3-methyl-piperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
IUPAC Name: 1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SYSTEMATIC NAME: 1-[4-(2-chloranyl-4-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C30H29ClN6O5S
MOLECULAR WEIGHT: 621.10646
SMILES: CC1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)C
Structure:
CAS RN: 5635-11-0
CAS Name: 5-[2-[(5,7-dichloro-2-methyl-8-quinolinyl)oxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-[2-[(5,7-dichloro-2-methyl-8-quinolyl)oxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 5-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-[2-[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H20Cl2N2O4
MOLECULAR WEIGHT: 435.3005
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)COC2=C(C=C(C3=C2N=C(C=C3)C)Cl)Cl)C
Structure:
CAS RN: 5066-53-5
CAS Name: 1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
OPENEYE Name: 1-(4-hydroxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SYSTEMATIC NAME: 1-(3-methoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: COC1=C(C=CC(=C1)C2C3=C(CCN2)C=C(C=C3)O)O
Structure:
CAS RN: 5946-65-6
CAS Name: N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexyl-2-[[dimethylamino(oxo)methyl]-propylamino]acetamide
OPENEYE Name: N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(propyl)amino]acetamide
IUPAC Name: N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(propyl)amino]acetamide
SYSTEMATIC NAME: N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[dimethylcarbamoyl(propyl)amino]ethanamide
MOLECULAR FORMULA: C26H37ClN4O2
MOLECULAR WEIGHT: 473.05058
SMILES: CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C3CCCCC3)C(=O)N(C)C
Structure:
CAS RN: 5946-04-3
CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[2-[[[5-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]-4-oxazolyl]methanone
OPENEYE Name: [2-[[5-benzyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]oxazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
IUPAC Name: [2-[[5-benzyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: [4-(4-nitrophenyl)piperazin-1-yl]-[2-[[5-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]methanone
MOLECULAR FORMULA: C31H26F3N7O4S
MOLECULAR WEIGHT: 649.64285
SMILES: C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=COC(=N3)CSC4=NN=C(N4C5=CC=CC(=C5)C(F)(F)F)CC6=CC=CC=C6
Structure:
CAS RN: 4548-55-4
CAS Name: N-(2-methoxyphenyl)-6-methyl-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OPENEYE Name: N-(2-methoxyphenyl)-6-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
IUPAC Name: N-(2-methoxyphenyl)-6-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: N-(2-methoxyphenyl)-6-methyl-2-(2-pyrrolidin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C23H29N3O3S
MOLECULAR WEIGHT: 427.55966
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3OC)NC(=O)CN4CCCC4
Structure:
CAS RN: 6704-05-8
CAS Name: N-[amino-[4-[oxo(2-pyridinyl)methyl]-1-piperazin-1-iumylidene]methyl]nitramide
OPENEYE Name: N-[amino-[4-(pyridine-2-carbonyl)piperazin-1-ium-1-ylidene]methyl]nitramide
IUPAC Name: N-[amino-[4-(pyridine-2-carbonyl)piperazin-1-ium-1-ylidene]methyl]nitramide
SYSTEMATIC NAME: N-[azanyl-(4-pyridin-2-ylcarbonylpiperazin-1-ium-1-ylidene)methyl]nitramide
MOLECULAR FORMULA: C11H15N6O3+
MOLECULAR WEIGHT: 279.2752
SMILES: C1C[N+](=C(N)N[N+](=O)[O-])CCN1C(=O)C2=CC=CC=N2
Structure:
CAS RN: 6805-38-5
CAS Name: N-butyl-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
OPENEYE Name: N-butyl-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
IUPAC Name: N-butyl-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SYSTEMATIC NAME: N-butyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide
MOLECULAR FORMULA: C20H21FN2O2S
MOLECULAR WEIGHT: 372.456343
SMILES: CCCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC=C(C=C3)F
Structure:
CAS RN: 5814-61-9
CAS Name: 4-(2-cyanoanilino)-6-(3-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(2-cyanoanilino)-6-(3-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate
IUPAC Name: ethyl 4-(2-cyanoanilino)-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C23H22N2O4
MOLECULAR WEIGHT: 390.43178
SMILES: CCOC(=O)C1C(CC(=CC1=O)NC2=CC=CC=C2C#N)C3=CC(=CC=C3)OC
Structure:
CAS RN: 4903-85-9
CAS Name: 6-[(4-bromophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-3-benzofuranone
OPENEYE Name: 6-[(4-bromophenyl)methoxy]-2-[(4-phenylphenyl)methylene]benzofuran-3-one
IUPAC Name: 6-[(4-bromophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SYSTEMATIC NAME: 6-[(4-bromophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
MOLECULAR FORMULA: C28H19BrO3
MOLECULAR WEIGHT: 483.35266
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)OCC5=CC=C(C=C5)Br
Structure:
CAS RN: 4903-24-6
CAS Name: 2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(4-methoxyphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide
OPENEYE Name: 2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
IUPAC Name: 2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-cyano-3-[2-(4-methoxyphenoxy)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
MOLECULAR FORMULA: C23H20N4O6S
MOLECULAR WEIGHT: 480.4931
SMILES: COC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NC4CCS(=O)(=O)C4
Structure:
CAS RN: 5633-95-4
CAS Name: 5-amino-4-[[3-methyl-2-[[4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-5-oxopentanoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 5-amino-4-[[2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoate
IUPAC Name: benzyl 5-amino-4-[[3-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate
SYSTEMATIC NAME: (phenylmethyl) 5-azanyl-4-[[3-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C29H46N4O7
MOLECULAR WEIGHT: 562.69814
SMILES: CCC(C)C(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
Structure:
CAS RN: 5629-66-3
CAS Name: N-(3,4-difluorophenyl)-2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
OPENEYE Name: N-(3,4-difluorophenyl)-2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
IUPAC Name: N-(3,4-difluorophenyl)-2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
SYSTEMATIC NAME: N-[3,4-bis(fluoranyl)phenyl]-2-[10-methyl-1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]ethanamide
MOLECULAR FORMULA: C17H19F2N3O3
MOLECULAR WEIGHT: 351.347866
SMILES: CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)F)F
Structure:
CAS RN: 6777-29-3
CAS Name: 3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)-N-methyl-N-(phenylmethyl)propanamide
OPENEYE Name: N-benzyl-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)-N-methyl-propanamide
IUPAC Name: N-benzyl-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)-N-methylpropanamide
SYSTEMATIC NAME: 3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)-N-methyl-N-(phenylmethyl)propanamide
MOLECULAR FORMULA: C24H25FN2O4S
MOLECULAR WEIGHT: 456.529703
SMILES: CN(CC1=CC=CC=C1)C(=O)CC(C2=CC=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 6777-28-2
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-furanyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-furyl)-3-(p-tolylsulfonylamino)propanamide
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
MOLECULAR FORMULA: C22H22N2O6S
MOLECULAR WEIGHT: 442.48488
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CO4
Structure:
CAS RN: 6355-37-9
CAS Name: 4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]benzamide
OPENEYE Name: 4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzamide
IUPAC Name: 4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzamide
SYSTEMATIC NAME: 4-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]benzamide
MOLECULAR FORMULA: C11H7F7N2O2
MOLECULAR WEIGHT: 332.174302
SMILES: C1=CC(=CC=C1C(=O)N)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 5470-71-3
CAS Name: N-(3-methylbutyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
OPENEYE Name: N-isopentyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
IUPAC Name: N-(3-methylbutyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SYSTEMATIC NAME: N-(3-methylbutyl)-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide
MOLECULAR FORMULA: C16H21N3O2
MOLECULAR WEIGHT: 287.35684
SMILES: CC(C)CCNC(=O)C1=NN(C(=O)CC1)C2=CC=CC=C2
Structure:
CAS RN: 5470-10-0
CAS Name: N-[5-[(4-ethylphenyl)methyl]-2-thiazolyl]-2-phenylmethoxybenzamide
OPENEYE Name: 2-benzyloxy-N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]benzamide
IUPAC Name: N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
SYSTEMATIC NAME: N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxy-benzamide
MOLECULAR FORMULA: C26H24N2O2S
MOLECULAR WEIGHT: 428.54596
SMILES: CCC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC=CC=C3OCC4=CC=CC=C4
Structure:
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