Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H24N2O5
MOLECULAR WEIGHT: 336.38286
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] ester
IUPAC NAME: [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H14F2O5
MOLECULAR WEIGHT: 360.308266
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC=C(C=C3)OC(F)F
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chlorophenyl)carbamothioylamino]thiourea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(3-chloroanilino)-sulfanylidenemethyl]amino]thiourea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chlorophenyl)carbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chlorophenyl)carbamothioylamino]thiourea
MOLECULAR FORMULA: C16H15ClN4O2S2
MOLECULAR WEIGHT: 394.8989
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylcarbamothioylamino]thiourea
CAS Name: 1-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
IUPAC NAME: 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylcarbamothioylamino]thiourea
MOLECULAR FORMULA: C16H17ClN4OS2
MOLECULAR WEIGHT: 380.91538
SMILES: COC1=CC=C(C=C1)CNC(=S)NNC(=S)NC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: [2-(benzofuran-2-yl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester
IUPAC NAME: [2-(1-benzofuran-2-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H14O5
MOLECULAR WEIGHT: 334.32216
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3
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Product OPENEYE NAME: methyl 1-[2-(4-tert-butylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-tert-butylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H29N2O3+
MOLECULAR WEIGHT: 333.44516
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(4-tert-butylanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-tert-butylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H28N2O3
MOLECULAR WEIGHT: 332.43722
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 4,5-dichloro-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyridazin-3-one
CAS Name: 4,5-dichloro-2-[2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl]-3-pyridazinone
IUPAC NAME: 4,5-dichloro-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyridazin-3-one
SYSTEMATIC NAME: 4,5-bis(chloranyl)-2-[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl]pyridazin-3-one
MOLECULAR FORMULA: C16H13Cl2N3O3
MOLECULAR WEIGHT: 366.19872
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CN3C(=O)C(=C(C=N3)Cl)Cl
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Product OPENEYE NAME: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C16H11BrO4S
MOLECULAR WEIGHT: 379.22514
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC=C(S3)Br
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Product OPENEYE NAME: methyl 1-[2-(2-chloroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-chloroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H20ClN2O3+
MOLECULAR WEIGHT: 311.7839
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl
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Product OPENEYE NAME: methyl 1-[2-(2-chloroanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-chloroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H19ClN2O3
MOLECULAR WEIGHT: 310.77596
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2Cl
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Product OPENEYE NAME: 1-(3-chlorophenyl)-3-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]thiourea
CAS Name: 1-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-(3-chlorophenyl)-3-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]thiourea
MOLECULAR FORMULA: C15H21ClN4S2
MOLECULAR WEIGHT: 356.93704
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NNC(=S)NC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: methyl 1-[2-(2-cyanoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-cyanoanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H20N3O3+
MOLECULAR WEIGHT: 302.3483
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C#N
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Product OPENEYE NAME: methyl 1-[2-(2-cyanoanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-cyanoanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H19N3O3
MOLECULAR WEIGHT: 301.34036
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=CC=C2C#N
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Product OPENEYE NAME: 1-(3-chlorophenyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea
CAS Name: 1-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
IUPAC NAME: 1-(3-chlorophenyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamothioylamino]thiourea
MOLECULAR FORMULA: C15H21ClN4S2
MOLECULAR WEIGHT: 356.93704
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=S)NC2=CC(=CC=C2)Cl
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