Tuesday, May 7, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (1R,4R,5S)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
CAS Name: (1R,4R,5S)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-5-bicyclo[2.2.1]hept-2-enecarboxamide
IUPAC NAME: (1R,4R,5S)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
SYSTEMATIC NAME: (1R,4R,5S)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: COC1=CC=C(C=C1)OC2=C(C=CC(=C2)NC(=O)[C@H]3C[C@H]4C[C@@H]3C=C4)OC
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Product OPENEYE NAME: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CAS Name: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
IUPAC NAME: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
SYSTEMATIC NAME: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
MOLECULAR FORMULA: C28H27N3O5
MOLECULAR WEIGHT: 485.53108
SMILES: COC1=CC=C(C=C1)OC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4)OC
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Product OPENEYE NAME: 9-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)fluorene-2-carboxamide
CAS Name: 9-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-fluorenecarboxamide
IUPAC NAME: 9-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)fluorene-2-carboxamide
SYSTEMATIC NAME: 9-oxidanylidene-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)fluorene-2-carboxamide
MOLECULAR FORMULA: C17H9N5O2S
MOLECULAR WEIGHT: 347.35066
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NN5C=NN=C5S4
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Product OPENEYE NAME: (3R)-N3-[4-methoxy-3-(4-methoxyphenoxy)phenyl]piperidine-1,3-dicarboxamide
CAS Name: (3R)-N3-[4-methoxy-3-(4-methoxyphenoxy)phenyl]piperidine-1,3-dicarboxamide
IUPAC NAME: (3R)-3-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]piperidine-1,3-dicarboxamide
SYSTEMATIC NAME: (3R)-N3-[4-methoxy-3-(4-methoxyphenoxy)phenyl]piperidine-1,3-dicarboxamide
MOLECULAR FORMULA: C21H25N3O5
MOLECULAR WEIGHT: 399.4403
SMILES: COC1=CC=C(C=C1)OC2=C(C=CC(=C2)NC(=O)[C@@H]3CCCN(C3)C(=O)N)OC
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Product OPENEYE NAME: (3S)-N3-[4-methoxy-3-(4-methoxyphenoxy)phenyl]piperidine-1,3-dicarboxamide
CAS Name: (3S)-N3-[4-methoxy-3-(4-methoxyphenoxy)phenyl]piperidine-1,3-dicarboxamide
IUPAC NAME: (3S)-3-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]piperidine-1,3-dicarboxamide
SYSTEMATIC NAME: (3S)-N3-[4-methoxy-3-(4-methoxyphenoxy)phenyl]piperidine-1,3-dicarboxamide
MOLECULAR FORMULA: C21H25N3O5
MOLECULAR WEIGHT: 399.4403
SMILES: COC1=CC=C(C=C1)OC2=C(C=CC(=C2)NC(=O)[C@H]3CCCN(C3)C(=O)N)OC
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Product OPENEYE NAME: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carboxamide
CAS Name: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3,6-dimethyl-4-oxo-5-furo[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C23H21N3O6
MOLECULAR WEIGHT: 435.42934
SMILES: CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)NC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-benzyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propyl-acetamide
CAS Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(phenylmethyl)-N-propylacetamide
IUPAC NAME: N-benzyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide
SYSTEMATIC NAME: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(phenylmethyl)-N-propyl-ethanamide
MOLECULAR FORMULA: C20H22F3N5O
MOLECULAR WEIGHT: 405.41679
SMILES: CCCN(CC1=CC=CC=C1)C(=O)CC2=C(N3C(=NC(=N3)C(F)(F)F)N=C2C)C
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Product OPENEYE NAME: N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CAS Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
IUPAC NAME: N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
MOLECULAR FORMULA: C25H26FN5O
MOLECULAR WEIGHT: 431.505243
SMILES: CC(C)[C@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=NN(C4=C3CCCC4)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 6-amino-1-butyl-5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-pentyl-amino]pyrimidine-2,4-dione
CAS Name: 6-amino-1-butyl-5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-pentylamino]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-butyl-5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-pentylamino]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-butyl-5-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-pentyl-amino]pyrimidine-2,4-dione
MOLECULAR FORMULA: C22H31N6O3+
MOLECULAR WEIGHT: 427.51994
SMILES: CCCCCN(CC1=CC(=O)[N+]2=CC=CC=C2N1)C3=C(N(C(=O)NC3=O)CCCC)N
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Product OPENEYE NAME: (2R)-N-(2-chloro-4-nitro-phenyl)-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: (2R)-N-(2-chloro-4-nitrophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-(2-chloranyl-4-nitro-phenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C23H25ClN6O4
MOLECULAR WEIGHT: 484.9354
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)[C@H](C)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl
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Product OPENEYE NAME: (2S)-N-(2-chloro-4-nitro-phenyl)-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: (2S)-N-(2-chloro-4-nitrophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: (2S)-N-(2-chloro-4-nitrophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-(2-chloranyl-4-nitro-phenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C23H25ClN6O4
MOLECULAR WEIGHT: 484.9354
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)[C@@H](C)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl
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Product OPENEYE NAME: (2R)-N-(4-nitrophenyl)-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: (2R)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-N-(4-nitrophenyl)propanamide
IUPAC NAME: (2R)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide
MOLECULAR FORMULA: C23H26N6O4
MOLECULAR WEIGHT: 450.49034
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)[C@H](C)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: (2S)-N-(4-nitrophenyl)-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-N-(4-nitrophenyl)propanamide
IUPAC NAME: (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide
SYSTEMATIC NAME: (2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide
MOLECULAR FORMULA: C23H26N6O4
MOLECULAR WEIGHT: 450.49034
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)[C@@H](C)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 5-[[4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-ium-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole
CAS Name: 5-[[4-[2-(4-chlorophenyl)sulfonylethyl]-1-piperazin-1-iumyl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
IUPAC NAME: 5-[[4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-ium-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-ium-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C22H26ClN4O3S+
MOLECULAR WEIGHT: 461.98484
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)CCS(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 5-[[4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole
CAS Name: 5-[[4-[2-(4-chlorophenyl)sulfonylethyl]-1-piperazinyl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
IUPAC NAME: 5-[[4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[4-[2-(4-chlorophenyl)sulfonylethyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C22H25ClN4O3S
MOLECULAR WEIGHT: 460.9769
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CCS(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]propanamide
CAS Name: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C25H31FN5O2+
MOLECULAR WEIGHT: 452.544343
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CC[NH+](CC3)[C@H](C)C(=O)N(C)CC4=CC(=CC=C4)F
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