Sunday, January 6, 2013

All Chemical Compounds Information



Product OPENEYE NAME: N-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl]-2-methoxy-acetamide
CAS Name: 2-methoxy-N-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]acetamide
IUPAC NAME: 2-methoxy-N-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
SYSTEMATIC NAME: 2-methoxy-N-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]ethanamide
MOLECULAR FORMULA: C21H31N5O3
MOLECULAR WEIGHT: 401.50254
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CNC(=O)COC
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Product OPENEYE NAME: 1-ethyl-3-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl]urea
CAS Name: 1-ethyl-3-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]urea
IUPAC NAME: 1-ethyl-3-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]urea
SYSTEMATIC NAME: 1-ethyl-3-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]urea
MOLECULAR FORMULA: C21H32N6O2
MOLECULAR WEIGHT: 400.51778
SMILES: CCNC(=O)NC[C@@H]1C=C([C@@H](C[C@H]1C(C)C)CC2=NN=C(O2)C3=CN=CN3C)C
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Product OPENEYE NAME: N-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl]methanesulfonamide
CAS Name: N-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]methanesulfonamide
IUPAC NAME: N-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanesulfonamide
SYSTEMATIC NAME: N-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]methanesulfonamide
MOLECULAR FORMULA: C19H29N5O3S
MOLECULAR WEIGHT: 407.53026
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CNS(=O)(=O)C
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Product OPENEYE NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]acetamide
CAS Name: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]acetamide
IUPAC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]ethanamide
MOLECULAR FORMULA: C22H28FN3O2
MOLECULAR WEIGHT: 385.475023
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3F)C(C)C)CNC(=O)C
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Product OPENEYE NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]-2,2-dimethyl-propanamide
CAS Name: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-2,2-dimethylpropanamide
IUPAC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C25H34FN3O2
MOLECULAR WEIGHT: 427.554763
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3F)C(C)C)CNC(=O)C(C)(C)C
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Product OPENEYE NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
CAS Name: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]cyclopropanecarboxamide
IUPAC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
MOLECULAR FORMULA: C24H30FN3O2
MOLECULAR WEIGHT: 411.512303
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3F)C(C)C)CNC(=O)C4CC4
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Product OPENEYE NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]-2-methoxy-acetamide
CAS Name: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-2-methoxyacetamide
IUPAC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-methoxyacetamide
SYSTEMATIC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]-2-methoxy-ethanamide
MOLECULAR FORMULA: C23H30FN3O3
MOLECULAR WEIGHT: 415.501003
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3F)C(C)C)CNC(=O)COC
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Product OPENEYE NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]pyrazine-2-carboxamide
CAS Name: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-2-pyrazinecarboxamide
IUPAC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]pyrazine-2-carboxamide
MOLECULAR FORMULA: C25H28FN5O2
MOLECULAR WEIGHT: 449.520523
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3F)C(C)C)CNC(=O)C4=NC=CN=C4
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Product OPENEYE NAME: 4-[[(3S)-3-(5-chloro-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CAS Name: 4-[[(3S)-3-(5-chloro-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]methyl]benzoic acid
IUPAC NAME: 4-[[(3S)-3-(5-chloro-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[(3S)-3-(5-chloranyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
MOLECULAR FORMULA: C19H17ClN2O3
MOLECULAR WEIGHT: 356.80288
SMILES: C1CN(C[C@H]1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC=C(C=C4)C(=O)O
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Product OPENEYE NAME: 5-chloro-2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CAS Name: 5-chloro-2-[(3S)-1-[(3,4-difluorophenyl)methyl]-3-pyrrolidinyl]-1,3-benzoxazole
IUPAC NAME: 5-chloro-2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[(3S)-1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrrolidin-3-yl]-5-chloranyl-1,3-benzoxazole
MOLECULAR FORMULA: C18H15ClF2N2O
MOLECULAR WEIGHT: 348.774306
SMILES: C1CN(C[C@H]1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC(=C(C=C4)F)F
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