Thursday, December 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-6-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]-1,3-benzoxazole-2-carboxamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-6-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-1,3-benzoxazole-2-carboxamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-benzoxazole-2-carboxamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-benzoxazole-2-carboxamide
MOLECULAR FORMULA: C33H32F3N5O3
MOLECULAR WEIGHT: 603.63409
SMILES: C1CN(CCC1NC(=O)C2=NC3=C(O2)C=C(C=C3)OC4CCN(CC4)C5=CC=C(C=C5)C(F)(F)F)CC6=CC=C(C=C6)C#N
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Product OPENEYE NAME: N-[1-(4-pyridylmethyl)-4-piperidyl]-6-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]-1,3-benzoxazole-2-carboxamide
CAS Name: N-[1-(pyridin-4-ylmethyl)-4-piperidinyl]-6-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-1,3-benzoxazole-2-carboxamide
IUPAC NAME: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-benzoxazole-2-carboxamide
SYSTEMATIC NAME: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-benzoxazole-2-carboxamide
MOLECULAR FORMULA: C31H32F3N5O3
MOLECULAR WEIGHT: 579.61269
SMILES: C1CN(CCC1NC(=O)C2=NC3=C(O2)C=C(C=C3)OC4CCN(CC4)C5=CC=C(C=C5)C(F)(F)F)CC6=CC=NC=C6
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Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxo-ethyl]-2-oxo-acetamide
CAS Name: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[2-[methyl-[2-(1-pyrrolidinyl)ethyl]amino]-2-oxoethyl]-2-oxoacetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]-2-oxoacetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C27H38N4O4
MOLECULAR WEIGHT: 482.61502
SMILES: CN(CCN1CCCC1)C(=O)CN(CC2CCCCC2)C(=O)C(=O)C3=CNC4=C3C=CC(=C4)OC
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Product OPENEYE NAME: 2-(1-cyclohexyl-6-methoxy-indol-3-yl)-N-[2-[(4-methoxycyclohexyl)amino]-2-oxo-ethyl]-N-methyl-2-oxo-acetamide
CAS Name: 2-(1-cyclohexyl-6-methoxy-3-indolyl)-N-[2-[(4-methoxycyclohexyl)amino]-2-oxoethyl]-N-methyl-2-oxoacetamide
IUPAC NAME: 2-(1-cyclohexyl-6-methoxyindol-3-yl)-N-[2-[(4-methoxycyclohexyl)amino]-2-oxoethyl]-N-methyl-2-oxoacetamide
SYSTEMATIC NAME: 2-(1-cyclohexyl-6-methoxy-indol-3-yl)-N-[2-[(4-methoxycyclohexyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C27H37N3O5
MOLECULAR WEIGHT: 483.59978
SMILES: CN(CC(=O)NC1CCC(CC1)OC)C(=O)C(=O)C2=CN(C3=C2C=CC(=C3)OC)C4CCCCC4
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Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-2-oxo-N-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]acetamide
CAS Name: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-2-oxo-N-[2-oxo-2-[[(2S)-2-oxolanyl]methylamino]ethyl]acetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-2-oxo-N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-2-oxidanylidene-N-[2-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]ethanamide
MOLECULAR FORMULA: C25H33N3O5
MOLECULAR WEIGHT: 455.54662
SMILES: COC1=CC2=C(C=C1)C(=CN2)C(=O)C(=O)N(CC3CCCCC3)CC(=O)NC[C@@H]4CCCO4
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Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]-2-oxo-acetamide
CAS Name: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-2-oxoacetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxoacetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C26H35N3O5
MOLECULAR WEIGHT: 469.5732
SMILES: COC[C@H]1CCCN1C(=O)CN(CC2CCCCC2)C(=O)C(=O)C3=CNC4=C3C=CC(=C4)OC
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Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)acetamide
CAS Name: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]acetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(6-fluoranyl-1H-indol-3-yl)-2-oxidanylidene-N-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)ethanamide
MOLECULAR FORMULA: C23H28FN3O3
MOLECULAR WEIGHT: 413.485123
SMILES: C1CCC(CC1)CN(CC(=O)N2CCCC2)C(=O)C(=O)C3=CNC4=C3C=CC(=C4)F
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Product OPENEYE NAME: N-cyclohexyl-3-[2-[cyclohexylmethyl(methyl)amino]-2-oxo-acetyl]-6-fluoro-indole-1-carboxamide
CAS Name: N-cyclohexyl-3-[2-[cyclohexylmethyl(methyl)amino]-1,2-dioxoethyl]-6-fluoro-1-indolecarboxamide
IUPAC NAME: N-cyclohexyl-3-[2-[cyclohexylmethyl(methyl)amino]-2-oxoacetyl]-6-fluoroindole-1-carboxamide
SYSTEMATIC NAME: N-cyclohexyl-3-[2-[cyclohexylmethyl(methyl)amino]-2-oxidanylidene-ethanoyl]-6-fluoranyl-indole-1-carboxamide
MOLECULAR FORMULA: C25H32FN3O3
MOLECULAR WEIGHT: 441.538283
SMILES: CN(CC1CCCCC1)C(=O)C(=O)C2=CN(C3=C2C=CC(=C3)F)C(=O)NC4CCCCC4
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Product OPENEYE NAME: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-7-[3-[3-(dimethylamino)propyl]phenyl]-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
CAS Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-7-[3-[3-(dimethylamino)propyl]phenyl]-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
IUPAC NAME: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-7-[3-[3-(dimethylamino)propyl]phenyl]-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-7-[3-[3-(dimethylamino)propyl]phenyl]-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
MOLECULAR FORMULA: C32H37N3O7
MOLECULAR WEIGHT: 575.65208
SMILES: CN(C)CCCC1=CC=CC(=C1)C2=C3C[C@H]4C[C@H]5[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]5(C(=O)C4=C(C3=C(C=C2)O)O)O)N(C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C41H62O12
MOLECULAR WEIGHT: 746.92378
SMILES: CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3CC=C[C@@H](O3)C[C@@H]4CC(=C)CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)[C@@H](C)O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C43H66O14
MOLECULAR WEIGHT: 806.97574
SMILES: CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3CC(C[C@@H](O3)C[C@@H]4CC(=C)C[C@@H](O4)/C=C/C(C1(O2)O)(C)C)OC(=O)C)O)[C@@H](C)O
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Product OPENEYE NAME: 7-[(8aS)-1,2,3,4,6,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
CAS Name: 7-[(8aS)-1,2,3,4,6,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 7-[(8aS)-1,2,3,4,6,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-[(8aS)-1,2,3,4,6,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C21H22FN3O4
MOLECULAR WEIGHT: 399.415483
SMILES: COC1=C2C(=CC(=C1C3=C[C@H]4CNCCN4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
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