Saturday, January 5, 2013

All Chemical Compounds Information



Product OPENEYE NAME: N-[4-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CAS Name: N-[4-[[(3S)-3-(1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]acetamide
IUPAC NAME: N-[4-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]ethanamide
MOLECULAR FORMULA: C20H19N3O3
MOLECULAR WEIGHT: 349.38316
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)N2CC[C@@H](C2)C3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-(4-pyridyl)methanone
CAS Name: [(3S)-3-(1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-pyridin-4-ylmethanone
IUPAC NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=NC=C4
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Product OPENEYE NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-(2-pyridyl)methanone
CAS Name: [(3S)-3-(1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-(2-pyridinyl)methanone
IUPAC NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SYSTEMATIC NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-yl-methanone
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=CC=N4
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Product OPENEYE NAME: 3H-benzimidazol-5-yl-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
CAS Name: 3H-benzimidazol-5-yl-[(3S)-3-(1,3-benzoxazol-2-yl)-1-pyrrolidinyl]methanone
IUPAC NAME: 3H-benzimidazol-5-yl-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: 3H-benzimidazol-5-yl-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C19H16N4O2
MOLECULAR WEIGHT: 332.35594
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)C(=O)C4=CC5=C(C=C4)N=CN5
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Product OPENEYE NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyrimidin-5-yl-methanone
CAS Name: [(3S)-3-(1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-(5-pyrimidinyl)methanone
IUPAC NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SYSTEMATIC NAME: [(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyrimidin-5-yl-methanone
MOLECULAR FORMULA: C16H14N4O2
MOLECULAR WEIGHT: 294.30796
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)C(=O)C4=CN=CN=C4
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Product OPENEYE NAME: 1-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-3-methoxy-propan-1-one
CAS Name: 1-[(3S)-3-(1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-3-methoxy-1-propanone
IUPAC NAME: 1-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-3-methoxypropan-1-one
SYSTEMATIC NAME: 1-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-3-methoxy-propan-1-one
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: COCCC(=O)N1CC[C@@H](C1)C2=NC3=CC=CC=C3O2
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Product OPENEYE NAME: 2-[2-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-[(3S)-3-(1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C15H16N2O5
MOLECULAR WEIGHT: 304.29794
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)C(=O)COCC(=O)O
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CAS Name: 2-(4-methoxyphenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(4-methoxyphenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C29H38N6O2
MOLECULAR WEIGHT: 502.65102
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)OC)C(C)C)CN4CCN(CC4)C5=NC=CN=C5
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Product OPENEYE NAME: 1-[4-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C28H41N5O2
MOLECULAR WEIGHT: 479.65744
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN4CCN(CC4)C(=O)C
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Product OPENEYE NAME: [1-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]-4-piperidyl]methanol
CAS Name: [1-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-4-piperidinyl]methanol
IUPAC NAME: [1-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]methanol
SYSTEMATIC NAME: [1-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]piperidin-4-yl]methanol
MOLECULAR FORMULA: C28H42N4O2
MOLECULAR WEIGHT: 466.65868
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN4CCC(CC4)CO
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Product OPENEYE NAME: 4-[5-[[(1S,4S,5S)-4-[(cyclopropylamino)methyl]-5-isopropyl-2-methyl-cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-aniline
CAS Name: 4-[5-[[(1S,4S,5S)-4-[(cyclopropylamino)methyl]-2-methyl-5-propan-2-yl-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
IUPAC NAME: 4-[5-[[(1S,4S,5S)-4-[(cyclopropylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[5-[[(1S,4S,5S)-4-[(cyclopropylamino)methyl]-2-methyl-5-propan-2-yl-cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C25H36N4O
MOLECULAR WEIGHT: 408.57954
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CNC4CC4
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Product OPENEYE NAME: N-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]-N',N'-dimethyl-ethane-1,2-diamine
CAS Name: N-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-N',N'-dimethylethane-1,2-diamine
IUPAC NAME: N-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SYSTEMATIC NAME: N-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]-N',N'-dimethyl-ethane-1,2-diamine
MOLECULAR FORMULA: C26H41N5O
MOLECULAR WEIGHT: 439.63664
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CNCCN(C)C
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Product OPENEYE NAME: 2-[4-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol
CAS Name: 2-[4-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-1-piperazinyl]ethanol
IUPAC NAME: 2-[4-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C28H43N5O2
MOLECULAR WEIGHT: 481.67332
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN4CCN(CC4)CCO
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Product OPENEYE NAME: 1-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]piperidin-4-ol
CAS Name: 1-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-4-piperidinol
IUPAC NAME: 1-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]piperidin-4-ol
MOLECULAR FORMULA: C27H40N4O2
MOLECULAR WEIGHT: 452.6321
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN4CCC(CC4)O
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Product OPENEYE NAME: 4-[5-[[(1S,4S,5S)-5-isopropyl-4-[(isopropylamino)methyl]-2-methyl-cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-aniline
CAS Name: N,N-dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(propan-2-ylamino)methyl]-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazol-2-yl]aniline
IUPAC NAME: N,N-dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(propan-2-ylamino)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(propan-2-ylamino)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline
MOLECULAR FORMULA: C25H38N4O
MOLECULAR WEIGHT: 410.59542
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CNC(C)C
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Product OPENEYE NAME: 4-[5-[[(1S,4S,5S)-5-isopropyl-4-[(2-methoxyethylamino)methyl]-2-methyl-cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-aniline
CAS Name: 4-[5-[[(1S,4S,5S)-4-[(2-methoxyethylamino)methyl]-2-methyl-5-propan-2-yl-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
IUPAC NAME: 4-[5-[[(1S,4S,5S)-4-[(2-methoxyethylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[5-[[(1S,4S,5S)-4-[(2-methoxyethylamino)methyl]-2-methyl-5-propan-2-yl-cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C25H38N4O2
MOLECULAR WEIGHT: 426.59482
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CNCCOC
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Product OPENEYE NAME: 2-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl-methyl-amino]ethanol
CAS Name: 2-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl-methylamino]ethanol
IUPAC NAME: 2-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl-methylamino]ethanol
SYSTEMATIC NAME: 2-[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl-methyl-amino]ethanol
MOLECULAR FORMULA: C25H38N4O2
MOLECULAR WEIGHT: 426.59482
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN(C)CCO
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