CAS RN: 636582-62-2
CAS Name: 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid; dihydrate
OPENEYE Name: 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide; citric acid; dihydrate
IUPAC Name: 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid; dihydrate
SYSTEMATIC NAME: 4-azanyl-5-chloranyl-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid; dihydrate
MOLECULAR FORMULA: C27H37ClFN3O12
MOLECULAR WEIGHT: 650.046983
SMILES: CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.O
Structure:
CAS RN: 79712-53-1
CAS Name: 7-[2-hydroxy-3-[4-[3-(phenylthio)propyl]-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione dihydrochloride
OPENEYE Name: 7-[2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione dihydrochloride
IUPAC Name: 7-[2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione dihydrochloride
SYSTEMATIC NAME: 1,3-dimethyl-7-[2-oxidanyl-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione dihydrochloride
MOLECULAR FORMULA: C23H34Cl2N6O3S
MOLECULAR WEIGHT: 545.52546
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCCSC4=CC=CC=C4)O.Cl.Cl
Structure:
CAS RN: 114030-44-3
CAS Name: 2-[(1S,4R)-1-ethyl-4-(phenylmethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
OPENEYE Name: 2-[(1S,4R)-4-benzyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
IUPAC Name: 2-[(1S,4R)-4-benzyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(1S,4R)-1-ethyl-4-(phenylmethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid
MOLECULAR FORMULA: C22H23NO3
MOLECULAR WEIGHT: 349.42292
SMILES: CC[C@@]1(C2=C([C@H](CO1)CC3=CC=CC=C3)C4=CC=CC=C4N2)CC(=O)O
Structure:
CAS RN: 92943-93-6
CAS Name: 2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate; gadolinium(3+); (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: 2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate; gadolinium(3+); (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: 2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate; gadolinium(3+); (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: gadolinium(3+); 2-[4-(2-hydroxy-2-oxoethyl)-7,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C23H42GdN5O13
MOLECULAR WEIGHT: 753.85528
SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
Structure:
CAS RN: 100751-82-4
CAS Name: 2-(2,6-dimethylanilino)-1,1-dimethylguanidine hydrochloride
OPENEYE Name: 2-(2,6-dimethylanilino)-1,1-dimethyl-guanidine hydrochloride
IUPAC Name: 2-(2,6-dimethylanilino)-1,1-dimethylguanidine hydrochloride
SYSTEMATIC NAME: 2-[(2,6-dimethylphenyl)amino]-1,1-dimethyl-guanidine hydrochloride
MOLECULAR FORMULA: C11H19ClN4
MOLECULAR WEIGHT: 242.74836
SMILES: CC1=C(C(=CC=C1)C)N/N=C(/N)\N(C)C.Cl
Structure:
CAS RN: 87248-13-3
CAS Name: (Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-(1-piperidinyl)cyclopentyl]-4-heptenoic acid hydrochloride
OPENEYE Name: (Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-(1-piperidyl)cyclopentyl]hept-4-enoic acid hydrochloride
IUPAC Name: (Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid hydrochloride
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3S,5S)-3-oxidanyl-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-yl-cyclopentyl]hept-4-enoic acid hydrochloride
MOLECULAR FORMULA: C30H40ClNO4
MOLECULAR WEIGHT: 514.0959
SMILES: C1CCN(CC1)[C@H]2[C@H](C[C@@H]([C@@H]2CC/C=C\CCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)O.Cl
Structure:
CAS RN: 149042-61-5
CAS Name: (8S,10S,13S,14S,16R,17S)-17-[2-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-oxoethyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; methanesulfonic acid; hydrate
OPENEYE Name: (8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; methanesulfonic acid; hydrate
IUPAC Name: (8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; methanesulfonic acid; hydrate
SYSTEMATIC NAME: (8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanoyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; methanesulfonic acid; hydrate
MOLECULAR FORMULA: C39H58N6O6S
MOLECULAR WEIGHT: 738.97942
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C.CS(=O)(=O)O.O
Structure:
CAS RN: 107007-99-8
CAS Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-indazolecarboxamide hydrochloride
OPENEYE Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide hydrochloride
IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide hydrochloride
SYSTEMATIC NAME: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide hydrochloride
MOLECULAR FORMULA: C18H25ClN4O
MOLECULAR WEIGHT: 348.8703
SMILES: CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl
Structure:
CAS RN: 1404-90-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C66H75Cl2N9O24
MOLECULAR WEIGHT: 1449.2536
SMILES: C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9[C@@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)[C@@H
Structure:
CAS RN: 465-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O
Structure:
CAS RN: 99251-56-6
CAS Name: 2-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
OPENEYE Name: 2-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
IUPAC Name: 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
MOLECULAR FORMULA: C20H25N5O3S
MOLECULAR WEIGHT: 415.5092
SMILES: CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CC3=CC(=O)NC=C3
Structure:
CAS RN: 5080-50-2
CAS Name: (3R)-3-acetyloxy-4-(trimethylammonio)butanoate hydrochloride
OPENEYE Name: (3R)-3-acetoxy-4-(trimethylammonio)butanoate hydrochloride
IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate hydrochloride
SYSTEMATIC NAME: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate hydrochloride
MOLECULAR FORMULA: C9H18ClNO4
MOLECULAR WEIGHT: 239.69652
SMILES: CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.Cl
Structure:
CAS RN: 83646-86-0
CAS Name: acetic acid [(3S,3aS,9aS,9bS)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl] ester
OPENEYE Name: [(3S,3aS,9aS,9bS)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl] acetate
IUPAC Name: [(3S,3aS,9aS,9bS)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl] acetate
SYSTEMATIC NAME: [(3S,3aS,9aS,9bS)-6-ethyl-3a-methyl-7-oxidanylidene-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl] ethanoate
MOLECULAR FORMULA: C18H26O3
MOLECULAR WEIGHT: 290.39724
SMILES: CCC1=C2CC[C@]3([C@H]([C@@H]2CCC1=O)CC[C@@H]3OC(=O)C)C
Structure:
CAS RN: 81045-50-3
CAS Name: 2-[cyclopentyl-[(2S)-3-[(2,2-dimethyl-1-oxopropyl)thio]-2-methyl-1-oxopropyl]amino]acetic acid
OPENEYE Name: 2-[cyclopentyl-[(2S)-3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]amino]acetic acid
IUPAC Name: 2-[cyclopentyl-[(2S)-3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[cyclopentyl-[(2S)-3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C16H27NO4S
MOLECULAR WEIGHT: 329.45488
SMILES: C[C@H](CSC(=O)C(C)(C)C)C(=O)N(CC(=O)O)C1CCCC1
Structure:
CAS RN: 88430-50-6
CAS Name: 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl]butanoic acid
OPENEYE Name: 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl]butanoic acid
IUPAC Name: 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
SYSTEMATIC NAME: 4-[(1R,2R,3aS,8bS)-1-[(E,3S)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-2-oxidanyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
MOLECULAR FORMULA: C24H30O5
MOLECULAR WEIGHT: 398.492
SMILES: CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=C(O2)C(=CC=C3)CCCC(=O)O)O)O
Structure:
CAS RN: 85197-77-9
CAS Name: (8S,9R,10S,11S,13S,14S,17R)-17-(ethylthio)-9-fluoro-11-hydroxy-10,13-dimethyl-17-(methylthio)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,17R)-17-ethylsulfanyl-9-fluoro-11-hydroxy-10,13-dimethyl-17-methylsulfanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,17R)-17-ethylsulfanyl-9-fluoro-11-hydroxy-10,13-dimethyl-17-methylsulfanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17R)-17-ethylsulfanyl-9-fluoranyl-10,13-dimethyl-17-methylsulfanyl-11-oxidanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31FO2S2
MOLECULAR WEIGHT: 410.608743
SMILES: CCS[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)SC
Structure:
CAS RN: 55303-99-6
CAS Name: 2-[[(1R,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-[[(1R,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-1,4-benzoquinone
IUPAC Name: 2-[[(1R,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[[(1R,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC1CCC2([C@H]([C@]1(C)CC3=CC(=O)C=CC3=O)CCC=C2C)C
Structure:
CAS RN: 117467-28-4
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(Z)-2-(4-methylthiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C25H28N6O7S3
MOLECULAR WEIGHT: 620.72082
SMILES: CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C
Structure:
CAS RN: 102253-70-3
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[4-(5-oxazolyl)-1-pyridin-1-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(4-oxazol-5-ylpyridin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[4-(1,3-oxazol-5-yl)pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[4-(1,3-oxazol-5-yl)pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C22H19N7O6S2
MOLECULAR WEIGHT: 541.55956
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=CN=CO5)C(=O)[O-]
Structure:
CAS RN: 86348-98-3
CAS Name: (Z)-7-[(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5R)-5-fluoranyl-3-oxidanyl-2-[(E,3R)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H29FO5
MOLECULAR WEIGHT: 392.461063
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]1F)C/C=C\CCCC(=O)O)/C=C/[C@H](COC2=CC=CC=C2)O)O
Structure:
CAS RN: 99258-55-6
CAS Name: 8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine hydrochloride
OPENEYE Name: 8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine hydrochloride
IUPAC Name: 8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine hydrochloride
SYSTEMATIC NAME: 8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine hydrochloride
MOLECULAR FORMULA: C15H21ClN2O2
MOLECULAR WEIGHT: 296.79244
SMILES: COC1(CCCN2C1=NC(C2)C3=CC=CC=C3)OC.Cl
Structure:
CAS RN: 87081-35-4
CAS Name: (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid
OPENEYE Name: (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxo-nonadeca-2,10,12,16,18-pentaenoic acid
IUPAC Name: (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid
SYSTEMATIC NAME: (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-6-oxidanyl-8-oxidanylidene-nonadeca-2,10,12,16,18-pentaenoic acid
MOLECULAR FORMULA: C33H48O6
MOLECULAR WEIGHT: 540.73062
SMILES: CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C
Structure:
CAS RN: 96914-39-5
CAS Name: (4R,4aR)-4-[2-[di(propan-2-yl)amino]ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
OPENEYE Name: (4R,4aR)-4-[2-(diisopropylamino)ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
IUPAC Name: (4R,4aR)-4-[2-[di(propan-2-yl)amino]ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
SYSTEMATIC NAME: (4R,4aR)-4-[2-[di(propan-2-yl)amino]ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
MOLECULAR FORMULA: C23H35N3O
MOLECULAR WEIGHT: 369.5435
SMILES: CC1=NC(=O)[C@]([C@@H]2N1CCCC2)(CCN(C(C)C)C(C)C)C3=CC=CC=C3
Structure:
CAS RN: 85650-56-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H20ClNO5
MOLECULAR WEIGHT: 401.8402
SMILES: CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 61991-54-6
CAS Name: ammonium 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5R)-3-[[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-2-oxanyl]oxy]-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-5-methyl-2-oxolanyl]-7-hydroxy-3,8-dimethyl-4,10-diox
OPENEYE Name: ammonium 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofur
IUPAC Name: azanium 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxasp
SYSTEMATIC NAME: azanium 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-oxan-2-yl]oxy-5-[(2S,3S,5R,6S)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-di
MOLECULAR FORMULA: C47H83NO17
MOLECULAR WEIGHT: 934.15842
SMILES: C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)[O-])O)C)OC)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@H]([C@@H](O7)C)OC)OC)(C)O)C.[NH4+]
Structure:
CAS RN: 82547-81-7
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(5-methyl-2-tetrazolyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C22H27N9O7S2
MOLECULAR WEIGHT: 593.63588
SMILES: CC1=NN(N=N1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C
Structure:
CAS RN: 30286-75-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H26BrNO4
MOLECULAR WEIGHT: 412.31804
SMILES: CC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
Structure:
CAS RN: 58934-46-6
CAS Name: N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-yl-4-piperidinyl)acetamide hydrochloride
OPENEYE Name: N-(4-chlorophenyl)-N-(1-isopropyl-4-piperidyl)-2-phenyl-acetamide hydrochloride
IUPAC Name: N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide hydrochloride
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)ethanamide hydrochloride
MOLECULAR FORMULA: C22H28Cl2N2O
MOLECULAR WEIGHT: 407.37652
SMILES: CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3.Cl
Structure:
CAS RN: 70111-54-5
CAS Name: (2Z)-6-(2-chlorophenyl)-2-[(4-methyl-1-piperazinyl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one; methanesulfonic acid
OPENEYE Name: (2Z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one; methanesulfonic acid
IUPAC Name: (2Z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one; methanesulfonic acid
SYSTEMATIC NAME: (2Z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one; methanesulfonic acid
MOLECULAR FORMULA: C24H25ClN6O6S
MOLECULAR WEIGHT: 561.0099
SMILES: CN1CCN(CC1)/C=C\2/C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl.CS(=O)(=O)O
Structure:
CAS RN: 70865-14-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H30ClNO3
MOLECULAR WEIGHT: 403.9422
SMILES: CC[C@H]1CC(=O)[C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)OC)O2)N(CC4)CC6CC6.Cl
Structure:
CAS RN: 53464-72-5
CAS Name: 3,4,5-trimethoxybenzoic acid 8-(diethylamino)octyl ester hydrochloride
OPENEYE Name: 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
IUPAC Name: 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
SYSTEMATIC NAME: 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
MOLECULAR FORMULA: C22H38ClNO5
MOLECULAR WEIGHT: 431.99382
SMILES: CCN(CC)CCCCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.Cl
Structure:
CAS RN: 93851-87-7
CAS Name: 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine; methanesulfonic acid
OPENEYE Name: 2-[(2-ethoxyphenoxy)-phenyl-methyl]morpholine; methanesulfonic acid
IUPAC Name: 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine; methanesulfonic acid
SYSTEMATIC NAME: 2-[(2-ethoxyphenoxy)-phenyl-methyl]morpholine; methanesulfonic acid
MOLECULAR FORMULA: C20H27NO6S
MOLECULAR WEIGHT: 409.49648
SMILES: CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3.CS(=O)(=O)O
Structure:
CAS RN: 89815-43-0
CAS Name: 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol dihydrochloride
OPENEYE Name: 2-[[3-(dimethylamino)propyl-methyl-amino]methyl]-4-iodo-6-methyl-phenol dihydrochloride
IUPAC Name: 2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol dihydrochloride
SYSTEMATIC NAME: 2-[[3-(dimethylamino)propyl-methyl-amino]methyl]-4-iodanyl-6-methyl-phenol dihydrochloride
MOLECULAR FORMULA: C14H25Cl2IN2O
MOLECULAR WEIGHT: 435.17157
SMILES: CC1=CC(=CC(=C1O)CN(C)CCCN(C)C)I.Cl.Cl
Structure:
CAS RN: 80168-44-1
CAS Name: 2,6-dichloro-N-[(E)-[1-(5-chloro-2-thiophenyl)-2-(1-imidazolyl)ethylidene]amino]aniline hydrochloride
OPENEYE Name: 2,6-dichloro-N-[(E)-[1-(5-chloro-2-thienyl)-2-imidazol-1-yl-ethylidene]amino]aniline hydrochloride
IUPAC Name: 2,6-dichloro-N-[(E)-[1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethylidene]amino]aniline hydrochloride
SYSTEMATIC NAME: 2,6-bis(chloranyl)-N-[(E)-[1-(5-chloranylthiophen-2-yl)-2-imidazol-1-yl-ethylidene]amino]aniline hydrochloride
MOLECULAR FORMULA: C15H12Cl4N4S
MOLECULAR WEIGHT: 422.15958
SMILES: C1=CC(=C(C(=C1)Cl)N/N=C(\CN2C=CN=C2)/C3=CC=C(S3)Cl)Cl.Cl
Structure:
CAS RN: 83529-08-2
CAS Name: N-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]phenyl]carbamic acid ethyl ester hydrochloride
OPENEYE Name: ethyl N-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate hydrochloride
IUPAC Name: ethyl N-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate hydrochloride
SYSTEMATIC NAME: ethyl N-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate hydrochloride
MOLECULAR FORMULA: C23H24Cl3N3O4S
MOLECULAR WEIGHT: 544.87836
SMILES: CCOC(=O)NC1=CC=C(C=C1)SC[C@@H]2CO[C@@](O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.Cl
Structure:
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