Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CN4CCC(CC4)C(=O)OC
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Product OPENEYE NAME: 1-[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-(2-fluorophenyl)thiourea
CAS Name: 1-(2-fluorophenyl)-3-[(Z)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(2-fluorophenyl)-3-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C18H15FN4OS
MOLECULAR WEIGHT: 354.401303
SMILES: C=CCN1C2=CC=CC=C2/C(=N/NC(=S)NC3=CC=CC=C3F)/C1=O
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 1,3-benzothiazole-6-carboxylate
CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C17H18N4O3S
MOLECULAR WEIGHT: 358.41482
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)N=CS3
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Product OPENEYE NAME: methyl 1-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H22FN2O3+
MOLECULAR WEIGHT: 309.355883
SMILES: CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)F
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Product OPENEYE NAME: methyl 1-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H21FN2O3
MOLECULAR WEIGHT: 308.347943
SMILES: CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC)F
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Product OPENEYE NAME: 2-[[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]ethyl-dimethyl-ammonium
CAS Name: dimethyl-[2-[[[(2Z)-2-(2-oxo-1-prop-2-enyl-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]ethyl]ammonium
IUPAC NAME: dimethyl-[2-[[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]carbamothioylamino]ethyl]azanium
SYSTEMATIC NAME: dimethyl-[2-[[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]carbamothioylamino]ethyl]azanium
MOLECULAR FORMULA: C16H22N5OS+
MOLECULAR WEIGHT: 332.44378
SMILES: C[NH+](C)CCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC=C
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Product OPENEYE NAME: 1-[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-[2-(dimethylamino)ethyl]thiourea
CAS Name: 1-[2-(dimethylamino)ethyl]-3-[(Z)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-[2-(dimethylamino)ethyl]-3-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[2-(dimethylamino)ethyl]-3-[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C16H21N5OS
MOLECULAR WEIGHT: 331.43584
SMILES: CN(C)CCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC=C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 1,3-benzothiazole-6-carboxylate
CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C17H18N4O3S
MOLECULAR WEIGHT: 358.41482
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)N=CS3
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Product OPENEYE NAME: methyl 1-[2-oxo-2-[[(1R)-tetralin-1-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H27N2O3+
MOLECULAR WEIGHT: 331.42928
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)N[C@@H]2CCCC3=CC=CC=C23
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Product OPENEYE NAME: methyl 1-[2-oxo-2-[[(1R)-tetralin-1-yl]amino]ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H26N2O3
MOLECULAR WEIGHT: 330.42134
SMILES: COC(=O)C1CCN(CC1)CC(=O)N[C@@H]2CCCC3=CC=CC=C23
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Product OPENEYE NAME: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO5
MOLECULAR WEIGHT: 365.37926
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-[(E)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-(2-furylmethyl)thiourea
CAS Name: 1-(2-furanylmethyl)-3-[(E)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-[(E)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-[(E)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C17H16N4O2S
MOLECULAR WEIGHT: 340.39954
SMILES: C=CCN1C2=CC=CC=C2/C(=N\NC(=S)NCC3=CC=CO3)/C1=O
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Product OPENEYE NAME: methyl 1-[2-oxo-2-[[(1S)-tetralin-1-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H27N2O3+
MOLECULAR WEIGHT: 331.42928
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)N[C@H]2CCCC3=CC=CC=C23
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Product OPENEYE NAME: methyl 1-[2-oxo-2-[[(1S)-tetralin-1-yl]amino]ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H26N2O3
MOLECULAR WEIGHT: 330.42134
SMILES: COC(=O)C1CCN(CC1)CC(=O)N[C@H]2CCCC3=CC=CC=C23
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate
CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C19H18N2O4S
MOLECULAR WEIGHT: 370.42222
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)N=CS3
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Product OPENEYE NAME: 1-[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-propyl-thiourea
CAS Name: 1-[(Z)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]-3-propylthiourea
IUPAC NAME: 1-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]-3-propylthiourea
SYSTEMATIC NAME: 1-[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]-3-propyl-thiourea
MOLECULAR FORMULA: C15H18N4OS
MOLECULAR WEIGHT: 302.39462
SMILES: CCCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC=C
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Product OPENEYE NAME: methyl 1-[2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H19ClN3O5+
MOLECULAR WEIGHT: 356.78146
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 1-[2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H18ClN3O5
MOLECULAR WEIGHT: 355.77352
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[(E)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(E)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(E)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(E)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C19H26N5O2S+
MOLECULAR WEIGHT: 388.50704
SMILES: C=CCN1C2=CC=CC=C2/C(=N\NC(=S)NCCC[NH+]3CCOCC3)/C1=O
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Product OPENEYE NAME: 1-[(E)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-(3-morpholinopropyl)thiourea
CAS Name: 1-[3-(4-morpholinyl)propyl]-3-[(E)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(3-morpholin-4-ylpropyl)-3-[(E)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(3-morpholin-4-ylpropyl)-3-[(E)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C19H25N5O2S
MOLECULAR WEIGHT: 387.4991
SMILES: C=CCN1C2=CC=CC=C2/C(=N\NC(=S)NCCCN3CCOCC3)/C1=O
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Product OPENEYE NAME: methyl 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H24ClN2O3+
MOLECULAR WEIGHT: 339.83706
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCCC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H23ClN2O3
MOLECULAR WEIGHT: 338.82912
SMILES: COC(=O)C1CCN(CC1)CC(=O)NCCC2=CC=C(C=C2)Cl
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