Sunday, January 6, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CAS Name: 2-[(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyrrolidinyl]-1,3-benzoxazole
IUPAC NAME: 2-[(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[(3S)-1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C19H17F3N2O2
MOLECULAR WEIGHT: 362.34569
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)CC4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CAS Name: 2-[(3S)-1-[(2-fluorophenyl)methyl]-3-pyrrolidinyl]-1,3-benzoxazole
IUPAC NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C18H17FN2O
MOLECULAR WEIGHT: 296.338783
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)CC4=CC=CC=C4F
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Product OPENEYE NAME: 2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CAS Name: 2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinyl]-1,3-benzoxazole
IUPAC NAME: 2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: COC1=CC(=CC(=C1OC)OC)CN2CC[C@@H](C2)C3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: 2-[(3S)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CAS Name: 2-[(3S)-1-[(2-nitrophenyl)methyl]-3-pyrrolidinyl]-1,3-benzoxazole
IUPAC NAME: 2-[(3S)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[(3S)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C18H17N3O3
MOLECULAR WEIGHT: 323.34588
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)CC4=CC=CC=C4[N+](=O)[O-]
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Product OPENEYE NAME: 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
CAS Name: 2-[(3S)-1-(1H-imidazol-2-ylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole
IUPAC NAME: 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C15H16N4O
MOLECULAR WEIGHT: 268.31374
SMILES: C1CN(C[C@H]1C2=NC3=CC=CC=C3O2)CC4=NC=CN4
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Product OPENEYE NAME: 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CAS Name: 2-[(3S)-1-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl]-6-methyl-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
MOLECULAR FORMULA: C20H23N3O
MOLECULAR WEIGHT: 321.41612
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=C(C=C4)OC
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Product OPENEYE NAME: 2-[(3S)-1-benzylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-benzylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C19H21N3
MOLECULAR WEIGHT: 291.39014
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CAS Name: 4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl]benzonitrile
IUPAC NAME: 4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C20H20N4
MOLECULAR WEIGHT: 316.3996
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=C(C=C4)C#N
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Product OPENEYE NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CAS Name: 2-[(3S)-1-cyclobutyl-3-pyrrolidinyl]-6-methyl-1H-benzimidazole
IUPAC NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole
MOLECULAR FORMULA: C16H21N3
MOLECULAR WEIGHT: 255.35804
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C4CCC4
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Product OPENEYE NAME: N,N-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CAS Name: N,N-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl]aniline
IUPAC NAME: N,N-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]aniline
MOLECULAR FORMULA: C21H26N4
MOLECULAR WEIGHT: 334.45794
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=C(C=C4)N(C)C
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Product OPENEYE NAME: 6-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-methyl-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C13H17N3
MOLECULAR WEIGHT: 215.29418
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C
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Product OPENEYE NAME: 2-[(3S)-1-isobutylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-(2-methylpropyl)-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C16H23N3
MOLECULAR WEIGHT: 257.37392
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC(C)C
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Product OPENEYE NAME: 6-methyl-2-[(3S)-1-(2-pyridylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C18H20N4
MOLECULAR WEIGHT: 292.3782
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=CC=N4
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Product OPENEYE NAME: 6-methyl-2-[(3S)-1-tetrahydropyran-4-ylpyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-(4-oxanyl)-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C17H23N3O
MOLECULAR WEIGHT: 285.38402
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C4CCOCC4
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Product OPENEYE NAME: 6-methyl-2-[(3S)-1-(2-thienylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-(thiophen-2-ylmethyl)-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C17H19N3S
MOLECULAR WEIGHT: 297.41786
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=CS4
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Product OPENEYE NAME: 6-methyl-2-[(3S)-1-(p-tolylmethyl)pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C20H23N3
MOLECULAR WEIGHT: 305.41672
SMILES: CC1=CC=C(C=C1)CN2CC[C@@H](C2)C3=NC4=C(N3)C=C(C=C4)C
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Product OPENEYE NAME: 6-methyl-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C20H20F3N3
MOLECULAR WEIGHT: 359.38811
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 2-[(3S)-1-isopropylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-propan-2-yl-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C15H21N3
MOLECULAR WEIGHT: 243.34734
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C(C)C
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Product OPENEYE NAME: 6-methyl-2-[(3S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-[(1-methyl-3-indolyl)methyl]-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C22H24N4
MOLECULAR WEIGHT: 344.45276
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CN(C5=CC=CC=C54)C
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Product OPENEYE NAME: 1-[4-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-1-piperidyl]ethanone
CAS Name: 1-[4-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-piperidinyl]ethanone
IUPAC NAME: 1-[4-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C19H26N4O
MOLECULAR WEIGHT: 326.43594
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C4CCN(CC4)C(=O)C
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Product OPENEYE NAME: 6-methyl-2-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CAS Name: 6-methyl-2-[(3S)-1-[(4-methylsulfonylphenyl)methyl]-3-pyrrolidinyl]-1H-benzimidazole
IUPAC NAME: 6-methyl-2-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SYSTEMATIC NAME: 6-methyl-2-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
MOLECULAR FORMULA: C20H23N3O2S
MOLECULAR WEIGHT: 369.48052
SMILES: CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CC=C(C=C4)S(=O)(=O)C
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