Product OPENEYE NAME: 2-(4-chlorophenyl)-N-cyclopentyl-2-(3,5-dimethyl-1-piperidyl)acetamide
CAS Name: 2-(4-chlorophenyl)-N-cyclopentyl-2-(3,5-dimethyl-1-piperidinyl)acetamide
IUPAC NAME: 2-(4-chlorophenyl)-N-cyclopentyl-2-(3,5-dimethylpiperidin-1-yl)acetamide
SYSTEMATIC NAME: 2-(4-chlorophenyl)-N-cyclopentyl-2-(3,5-dimethylpiperidin-1-yl)ethanamide
MOLECULAR FORMULA: C20H29ClN2O
MOLECULAR WEIGHT: 348.91006
SMILES: CC1CC(CN(C1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCC3)C
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Product OPENEYE NAME: 2-[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-[2-(4-methylanilino)-2-oxo-ethyl]amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanamide
MOLECULAR FORMULA: C27H30N4O6
MOLECULAR WEIGHT: 506.5503
SMILES: CC1=CC=C(C=C1)NC(=O)CN(CC(=O)NC2=CC=C(C=C2)C)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O
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Product OPENEYE NAME: 2-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylanilino)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-prop-2-enenitrile
CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylanilino)-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-2-propenenitrile
IUPAC NAME: 2-(1,3-benzothiazol-2-yl)-3-(2,4-dimethylanilino)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylprop-2-enenitrile
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)-3-[(2,4-dimethylphenyl)amino]-3-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-prop-2-enenitrile
MOLECULAR FORMULA: C29H24N4OS2
MOLECULAR WEIGHT: 508.65706
SMILES: CC1=CC(=C(C=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC(=O)C4=C(NC5=CC=CC=C54)C)C
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Product OPENEYE NAME: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-norbornan-2-ylacetate
CAS Name: 2-(3-bicyclo[2.2.1]heptanyl)acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-bicyclo[2.2.1]heptanyl)acetate
SYSTEMATIC NAME: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3-bicyclo[2.2.1]heptanyl)ethanoate
MOLECULAR FORMULA: C18H19ClF3NO3
MOLECULAR WEIGHT: 389.79657
SMILES: C1CC2CC1CC2CC(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
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CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H23N3O3S2
MOLECULAR WEIGHT: 465.58772
SMILES: CCOC(=O)CSC1=NC(=NC2=C1SC3=NC4=C(CCC4)C(=C23)C5=CC=C(C=C5)OC)C
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Product OPENEYE NAME: 2-(1H-benzimidazol-2-ylsulfanyl)ethyl-diethyl-ammonium
CAS Name: 2-(1H-benzimidazol-2-ylthio)ethyl-diethylammonium
IUPAC NAME: 2-(1H-benzimidazol-2-ylsulfanyl)ethyl-diethylazanium
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylsulfanyl)ethyl-diethyl-azanium
MOLECULAR FORMULA: C13H20N3S+
MOLECULAR WEIGHT: 250.383
SMILES: CC[NH+](CC)CCSC1=NC2=CC=CC=C2N1
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Product OPENEYE NAME: 3-(4-formyl-2-iodo-6-methoxy-phenoxy)-4-hydroxy-N-(2-hydroxyethyl)-5-[3-methoxypropanoyl(tetrahydrofuran-2-ylmethyl)amino]cyclohexene-1-carboxamide
CAS Name: 3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-5-[(3-methoxy-1-oxopropyl)-(2-oxolanylmethyl)amino]-1-cyclohexenecarboxamide
IUPAC NAME: 3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-5-[3-methoxypropanoyl(oxolan-2-ylmethyl)amino]cyclohexene-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-3-(2-iodanyl-4-methanoyl-6-methoxy-phenoxy)-5-[3-methoxypropanoyl(oxolan-2-ylmethyl)amino]-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C26H35IN2O9
MOLECULAR WEIGHT: 646.46857
SMILES: COCCC(=O)N(CC1CCCO1)C2CC(=CC(C2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
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Product OPENEYE NAME: 3-(4-formyl-2-iodo-6-methoxy-phenoxy)-4-hydroxy-N-(2-hydroxyethyl)-5-[2-(1H-indol-2-yl)ethyl-(2-norbornan-2-ylacetyl)amino]cyclohexene-1-carboxamide
CAS Name: 5-[[2-(3-bicyclo[2.2.1]heptanyl)-1-oxoethyl]-[2-(1H-indol-2-yl)ethyl]amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-1-cyclohexenecarboxamide
IUPAC NAME: 5-[[2-(3-bicyclo[2.2.1]heptanyl)acetyl]-[2-(1H-indol-2-yl)ethyl]amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[2-(3-bicyclo[2.2.1]heptanyl)ethanoyl-[2-(1H-indol-2-yl)ethyl]amino]-N-(2-hydroxyethyl)-3-(2-iodanyl-4-methanoyl-6-methoxy-phenoxy)-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C36H42IN3O7
MOLECULAR WEIGHT: 755.63905
SMILES: COC1=C(C(=CC(=C1)C=O)I)OC2C=C(CC(C2O)N(CCC3=CC4=CC=CC=C4N3)C(=O)CC5CC6CCC5C6)C(=O)NCCO
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Product OPENEYE NAME: 3-[4-(diethylamino)phenyl]-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
CAS Name: 3-[4-(diethylamino)phenyl]-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-propenenitrile
IUPAC NAME: 3-[4-(diethylamino)phenyl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[4-(diethylamino)phenyl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
MOLECULAR FORMULA: C25H28N6O
MOLECULAR WEIGHT: 428.52942
SMILES: CCN(CC)C1=CC=C(C=C1)C=C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4
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Product OPENEYE NAME: 2-(1,3-benzothiazol-2-yl)-3-(2-methyl-1H-indol-3-yl)prop-2-enenitrile
CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2-methyl-1H-indol-3-yl)-2-propenenitrile
IUPAC NAME: 2-(1,3-benzothiazol-2-yl)-3-(2-methyl-1H-indol-3-yl)prop-2-enenitrile
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)-3-(2-methyl-1H-indol-3-yl)prop-2-enenitrile
MOLECULAR FORMULA: C19H13N3S
MOLECULAR WEIGHT: 315.39162
SMILES: CC1=C(C2=CC=CC=C2N1)C=C(C#N)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 2-(4-anilinophenyl)-9-bromo-6-(3-hydroxyphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-(4-anilinophenyl)-9-bromo-6-(3-hydroxyphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-(4-anilinophenyl)-9-bromo-6-(3-hydroxyphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 9-bromanyl-6-(3-hydroxyphenyl)-2-(4-phenylazanylphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C34H25BrN2O5
MOLECULAR WEIGHT: 621.4767
SMILES: C1C=C2C(CC3=C(C2C4=CC(=CC=C4)O)C(=O)C=C(C3=O)Br)C5C1C(=O)N(C5=O)C6=CC=C(C=C6)NC7=CC=CC=C7
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Product OPENEYE NAME: 6-[9-bromo-6-[2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]hexanoic acid
CAS Name: 6-[9-bromo-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]hexanoic acid
IUPAC NAME: 6-[9-bromo-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]hexanoic acid
SYSTEMATIC NAME: 6-[9-bromanyl-6-[2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1,3,7,10-tetrakis(oxidanylidene)-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]hexanoic acid
MOLECULAR FORMULA: C31H30BrNO8
MOLECULAR WEIGHT: 624.4758
SMILES: COC1=C(C=CC(=C1)C=CC2C3=CCC4C(C3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)CCCCCC(=O)O)O
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Product OPENEYE NAME: 4-[6-(5-chloro-2-hydroxy-phenyl)-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]-2-hydroxy-benzoic acid
CAS Name: 4-[6-(5-chloro-2-hydroxyphenyl)-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]-2-hydroxybenzoic acid
IUPAC NAME: 4-[6-(5-chloro-2-hydroxyphenyl)-9-methyl-1,3,7,10-tetraoxo-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 4-[6-(5-chloranyl-2-oxidanyl-phenyl)-9-methyl-1,3,7,10-tetrakis(oxidanylidene)-3a,4,6,11,11a,11b-hexahydronaphtho[2,3-e]isoindol-2-yl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C30H22ClNO8
MOLECULAR WEIGHT: 559.95058
SMILES: CC1=CC(=O)C2=C(C1=O)CC3C4C(CC=C3C2C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O
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Product OPENEYE NAME: 6-(4-hydroxy-2,6-dimethoxy-phenyl)-9-methyl-2-(2-thienylmethyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 6-(4-hydroxy-2,6-dimethoxyphenyl)-9-methyl-2-(thiophen-2-ylmethyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 6-(4-hydroxy-2,6-dimethoxyphenyl)-9-methyl-2-(thiophen-2-ylmethyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(2,6-dimethoxy-4-oxidanyl-phenyl)-9-methyl-2-(thiophen-2-ylmethyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C30H27NO7S
MOLECULAR WEIGHT: 545.60288
SMILES: CC1=CC(=O)C2=C(C1=O)CC3C4C(CC=C3C2C5=C(C=C(C=C5OC)O)OC)C(=O)N(C4=O)CC6=CC=CS6
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