Thursday, May 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
CAS Name: N-[4-(1-pyrazolyl)phenyl]-3-thiophenecarboxamide
IUPAC NAME: N-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
SYSTEMATIC NAME: N-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
MOLECULAR FORMULA: C14H11N3OS
MOLECULAR WEIGHT: 269.32164
SMILES: C1=CN(N=C1)C2=CC=C(C=C2)NC(=O)C3=CSC=C3
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Product OPENEYE NAME: 4,6,7-trimethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CAS Name: 4,6,7-trimethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
IUPAC NAME: 4,6,7-trimethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
SYSTEMATIC NAME: 4,6,7-trimethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
MOLECULAR FORMULA: C20H19F3N2O4
MOLECULAR WEIGHT: 408.37107
SMILES: COC1=CC(=C(C2=C1C=C(N2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)OC)OC
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
SYSTEMATIC NAME: N-[1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]-2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethanamide
MOLECULAR FORMULA: C16H21N5O4
MOLECULAR WEIGHT: 347.36904
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)NN2C(=O)C3(CCCCC3)NC2=O
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Product OPENEYE NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)butanamide
CAS Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)butanamide
IUPAC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)butanamide
SYSTEMATIC NAME: N-[1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
MOLECULAR FORMULA: C18H27N5O4
MOLECULAR WEIGHT: 377.43808
SMILES: CC(C)(C)C1=NOC(=N1)CCCC(=O)NN2C(=O)C3(CCCCC3)NC2=O
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Product OPENEYE NAME: ethyl N-[3-[(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)amino]-3-oxo-propyl]carbamate
CAS Name: N-[3-[(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)amino]-3-oxopropyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-[(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)amino]-3-oxopropyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[[1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]amino]-3-oxidanylidene-propyl]carbamate
MOLECULAR FORMULA: C14H22N4O5
MOLECULAR WEIGHT: 326.34828
SMILES: CCOC(=O)NCCC(=O)NN1C(=O)C2(CCCCC2)NC1=O
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Product OPENEYE NAME: N-[(2-chlorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
CAS Name: N-[(2-chlorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
IUPAC NAME: N-[(2-chlorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
SYSTEMATIC NAME: N-[(2-chlorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
MOLECULAR FORMULA: C17H15ClN2O2
MOLECULAR WEIGHT: 314.7662
SMILES: COC1=CC2=C(C=C1)C=C(N2)C(=O)NCC3=CC=CC=C3Cl
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Product OPENEYE NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-chlorophenyl)methyl]propanamide
CAS Name: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-chlorophenyl)methyl]propanamide
IUPAC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-chlorophenyl)methyl]propanamide
SYSTEMATIC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-chlorophenyl)methyl]propanamide
MOLECULAR FORMULA: C16H20ClN3O2
MOLECULAR WEIGHT: 321.8019
SMILES: CC(C)(C)C1=NOC(=N1)CCC(=O)NCC2=CC=CC=C2Cl
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Product OPENEYE NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclopropyl-butanamide
CAS Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbutanamide
IUPAC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbutanamide
SYSTEMATIC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-cyclopropyl-butanamide
MOLECULAR FORMULA: C13H21N3O2
MOLECULAR WEIGHT: 251.32474
SMILES: CC(C)(C)C1=NOC(=N1)CCCC(=O)NC2CC2
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Product OPENEYE NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CAS Name: [4-[(1R)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(1H-indazol-3-yl)methanone
IUPAC NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
SYSTEMATIC NAME: [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
MOLECULAR FORMULA: C20H21ClN4O
MOLECULAR WEIGHT: 368.85994
SMILES: C[C@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43
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Product OPENEYE NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CAS Name: [4-[(1S)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(1H-indazol-3-yl)methanone
IUPAC NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
SYSTEMATIC NAME: [4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
MOLECULAR FORMULA: C20H21ClN4O
MOLECULAR WEIGHT: 368.85994
SMILES: C[C@@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43
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Product OPENEYE NAME: 5-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CAS Name: 5-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophenecarboxamide
IUPAC NAME: 5-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SYSTEMATIC NAME: 5-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C19H17BrN2O3S2
MOLECULAR WEIGHT: 465.38388
SMILES: C1=CC(=CC=C1CCNC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Br)S(=O)(=O)N
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Product OPENEYE NAME: N-isobutyl-1-(3-nitrophenyl)pyrazole-3-carboxamide
CAS Name: N-(2-methylpropyl)-1-(3-nitrophenyl)-3-pyrazolecarboxamide
IUPAC NAME: N-(2-methylpropyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
SYSTEMATIC NAME: N-(2-methylpropyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C14H16N4O3
MOLECULAR WEIGHT: 288.30184
SMILES: CC(C)CNC(=O)C1=NN(C=C1)C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-isobutyl-3-(p-tolyl)isoxazole-5-carboxamide
CAS Name: 3-(4-methylphenyl)-N-(2-methylpropyl)-5-isoxazolecarboxamide
IUPAC NAME: 3-(4-methylphenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: 3-(4-methylphenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NCC(C)C
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Product OPENEYE NAME: N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2-furyl)thiazole-4-carboxamide
CAS Name: N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2-furanyl)-4-thiazolecarboxamide
IUPAC NAME: N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C17H16N2O3S
MOLECULAR WEIGHT: 328.38554
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(4-methoxyphenyl)methyl]butanamide
CAS Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(4-methoxyphenyl)methyl]butanamide
IUPAC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(4-methoxyphenyl)methyl]butanamide
SYSTEMATIC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(4-methoxyphenyl)methyl]butanamide
MOLECULAR FORMULA: C18H25N3O3
MOLECULAR WEIGHT: 331.4094
SMILES: CC(C)(C)C1=NOC(=N1)CCCC(=O)NCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 3-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CAS Name: 3-[[4-[(1R)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-oxomethyl]-1H-pyridin-2-one
IUPAC NAME: 3-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SYSTEMATIC NAME: 3-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]carbonyl-1H-pyridin-2-one
MOLECULAR FORMULA: C18H20ClN3O2
MOLECULAR WEIGHT: 345.8233
SMILES: C[C@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC=CNC3=O
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Product OPENEYE NAME: 3-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CAS Name: 3-[[4-[(1S)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]-oxomethyl]-1H-pyridin-2-one
IUPAC NAME: 3-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SYSTEMATIC NAME: 3-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]carbonyl-1H-pyridin-2-one
MOLECULAR FORMULA: C18H20ClN3O2
MOLECULAR WEIGHT: 345.8233
SMILES: C[C@@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC=CNC3=O
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Product OPENEYE NAME: 2-(2-bromo-4-cyano-6-ethoxy-phenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CAS Name: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
IUPAC NAME: 2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)-N-(3,5-dimethoxyphenyl)ethanamide
MOLECULAR FORMULA: C19H19BrN2O5
MOLECULAR WEIGHT: 435.26856
SMILES: CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NC2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)propanamide
CAS Name: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)propanamide
IUPAC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)propanamide
SYSTEMATIC NAME: 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)propanamide
MOLECULAR FORMULA: C17H23N3O4
MOLECULAR WEIGHT: 333.38222
SMILES: CC(C)(C)C1=NOC(=N1)CCC(=O)NC2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: ethyl N-[3-(3,5-dimethoxyanilino)-3-oxo-propyl]carbamate
CAS Name: N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[(3,5-dimethoxyphenyl)amino]-3-oxidanylidene-propyl]carbamate
MOLECULAR FORMULA: C14H20N2O5
MOLECULAR WEIGHT: 296.319
SMILES: CCOC(=O)NCCC(=O)NC1=CC(=CC(=C1)OC)OC
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Product OPENEYE NAME: (3-aminopyrazin-2-yl)-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CAS Name: (3-amino-2-pyrazinyl)-[4-[(1R)-1-(2-chlorophenyl)ethyl]-1-piperazinyl]methanone
IUPAC NAME: (3-aminopyrazin-2-yl)-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: (3-azanylpyrazin-2-yl)-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C17H20ClN5O
MOLECULAR WEIGHT: 345.8266
SMILES: C[C@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=NC=CN=C3N
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