Thursday, March 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(4-benzyl-1-piperidyl)methyl]-3-(3-chloro-4-methyl-phenyl)imino-indolin-2-one
CAS Name: 3-(3-chloro-4-methylphenyl)imino-1-[[4-(phenylmethyl)-1-piperidinyl]methyl]-2-indolone
IUPAC NAME: 1-[(4-benzylpiperidin-1-yl)methyl]-3-(3-chloro-4-methylphenyl)iminoindol-2-one
SYSTEMATIC NAME: 3-(3-chloranyl-4-methyl-phenyl)imino-1-[[4-(phenylmethyl)piperidin-1-yl]methyl]indol-2-one
MOLECULAR FORMULA: C28H28ClN3O
MOLECULAR WEIGHT: 457.99442
SMILES: CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCC(CC4)CC5=CC=CC=C5)Cl
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Product OPENEYE NAME: 2-hydroxy-2-[4-(2-hydroxy-1,3-dioxo-indan-2-yl)piperazin-1-yl]indane-1,3-dione
CAS Name: 2-hydroxy-2-[4-(2-hydroxy-1,3-dioxo-2-indenyl)-1-piperazinyl]indene-1,3-dione
IUPAC NAME: 2-hydroxy-2-[4-(2-hydroxy-1,3-dioxoinden-2-yl)piperazin-1-yl]indene-1,3-dione
SYSTEMATIC NAME: 2-oxidanyl-2-[4-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]piperazin-1-yl]indene-1,3-dione
MOLECULAR FORMULA: C22H18N2O6
MOLECULAR WEIGHT: 406.38812
SMILES: C1CN(CCN1C2(C(=O)C3=CC=CC=C3C2=O)O)C4(C(=O)C5=CC=CC=C5C4=O)O
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Product OPENEYE NAME: benzyl N-[(1S)-1-benzyl-2-(4-iodoanilino)-2-oxo-ethyl]carbamate
CAS Name: N-[(2S)-1-(4-iodoanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2S)-1-(4-iodoanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[(4-iodophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C23H21IN2O3
MOLECULAR WEIGHT: 500.32891
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)I)NC(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: benzyl N-[(1R)-1-benzyl-2-(4-iodoanilino)-2-oxo-ethyl]carbamate
CAS Name: N-[(2R)-1-(4-iodoanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2R)-1-(4-iodoanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[(4-iodophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C23H21IN2O3
MOLECULAR WEIGHT: 500.32891
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)NC2=CC=C(C=C2)I)NC(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: benzyl (2R)-2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CAS Name: (2R)-2-[(3,4-dimethylanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl (2R)-2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (2R)-2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN2C(=O)OCC3=CC=CC=C3)C
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Product OPENEYE NAME: benzyl (2S)-2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CAS Name: (2S)-2-[(3,4-dimethylanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl (2S)-2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (2S)-2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)C
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Product OPENEYE NAME: benzyl N-[(1R)-1-benzyl-2-(3,4-dimethylanilino)-2-oxo-ethyl]carbamate
CAS Name: N-[(2R)-1-(3,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2R)-1-(3,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C25H26N2O3
MOLECULAR WEIGHT: 402.48554
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C
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Product OPENEYE NAME: benzyl N-[(1S)-1-benzyl-2-(3,4-dimethylanilino)-2-oxo-ethyl]carbamate
CAS Name: N-[(2S)-1-(3,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2S)-1-(3,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C25H26N2O3
MOLECULAR WEIGHT: 402.48554
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C
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Product OPENEYE NAME: (3S)-N-(3-acetylphenyl)-1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-N-(3-acetylphenyl)-1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-N-(3-acetylphenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-(4-bromophenyl)-N-(3-ethanoylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C19H17BrN2O3
MOLECULAR WEIGHT: 401.25388
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: (3S)-N-(5-chloro-2-methyl-phenyl)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-N-(5-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-N-(5-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(5-chloranyl-2-methyl-phenyl)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C20H21ClN2O2
MOLECULAR WEIGHT: 356.84594
SMILES: CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)C
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Product OPENEYE NAME: (3R)-N-(5-chloro-2-methyl-phenyl)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3R)-N-(5-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-N-(5-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(5-chloranyl-2-methyl-phenyl)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C20H21ClN2O2
MOLECULAR WEIGHT: 356.84594
SMILES: CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)C
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Product OPENEYE NAME: (3S)-1-(4-chlorophenyl)-N-(1-naphthylmethyleneamino)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-1-(4-chlorophenyl)-N-(1-naphthalenylmethylideneamino)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-1-(4-chlorophenyl)-N-(naphthalen-1-ylmethylideneamino)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-(4-chlorophenyl)-N-(naphthalen-1-ylmethylideneamino)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C22H18ClN3O2
MOLECULAR WEIGHT: 391.85022
SMILES: C1[C@@H](CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NN=CC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: (3R)-1-(4-chlorophenyl)-N-(1-naphthylmethyleneamino)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3R)-1-(4-chlorophenyl)-N-(1-naphthalenylmethylideneamino)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-1-(4-chlorophenyl)-N-(naphthalen-1-ylmethylideneamino)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(4-chlorophenyl)-N-(naphthalen-1-ylmethylideneamino)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C22H18ClN3O2
MOLECULAR WEIGHT: 391.85022
SMILES: C1[C@H](CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NN=CC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: [2-(4-nitrophenyl)-2-oxo-ethyl] (3S)-1-(2-naphthyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3S)-1-(2-naphthalenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-nitrophenyl)-2-oxoethyl] (3S)-1-naphthalen-2-yl-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] (3S)-1-naphthalen-2-yl-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C23H18N2O6
MOLECULAR WEIGHT: 418.39882
SMILES: C1[C@@H](CN(C1=O)C2=CC3=CC=CC=C3C=C2)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(4-nitrophenyl)-2-oxo-ethyl] (3R)-1-(2-naphthyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3R)-1-(2-naphthalenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-nitrophenyl)-2-oxoethyl] (3R)-1-naphthalen-2-yl-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] (3R)-1-naphthalen-2-yl-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C23H18N2O6
MOLECULAR WEIGHT: 418.39882
SMILES: C1[C@H](CN(C1=O)C2=CC3=CC=CC=C3C=C2)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: (3S)-1-(4-chlorophenyl)-N-(1-naphthyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-1-(4-chlorophenyl)-N-(1-naphthalenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-1-(4-chlorophenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-(4-chlorophenyl)-N-naphthalen-1-yl-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C21H17ClN2O2
MOLECULAR WEIGHT: 364.82488
SMILES: C1[C@@H](CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC4=CC=CC=C43
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