Thursday, January 3, 2013

All Chemical Compounds Information



Product OPENEYE NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(2-pyridylmethyl)pyrrolidin-3-amine
CAS Name: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(2-pyridinylmethyl)-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
MOLECULAR FORMULA: C20H23N5O2
MOLECULAR WEIGHT: 365.42892
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4=CC=CC=N4
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Product OPENEYE NAME: 3-[[[(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-yl]amino]methyl]benzonitrile
CAS Name: 3-[[[(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinyl]amino]methyl]benzonitrile
IUPAC NAME: 3-[[[(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]amino]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[[(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-yl]amino]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C22H23N5O2
MOLECULAR WEIGHT: 389.45032
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4=CC=CC(=C4)C#N
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Product OPENEYE NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(3-pyridylmethyl)pyrrolidin-3-amine
CAS Name: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(3-pyridinylmethyl)-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
MOLECULAR FORMULA: C20H23N5O2
MOLECULAR WEIGHT: 365.42892
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4=CN=CC=C4
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Product OPENEYE NAME: (3S,5S)-N-(cyclohexylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
CAS Name: (3S,5S)-N-(cyclohexylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-N-(cyclohexylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-N-(cyclohexylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
MOLECULAR FORMULA: C21H30N4O2
MOLECULAR WEIGHT: 370.4885
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4CCCCC4
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Product OPENEYE NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-amine
CAS Name: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-[(4-methylsulfonylphenyl)methyl]-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-amine
MOLECULAR FORMULA: C22H26N4O4S
MOLECULAR WEIGHT: 442.53124
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)S(=O)(=O)C
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Product OPENEYE NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N,1-trimethyl-pyrrolidin-3-amine
CAS Name: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N,1-trimethyl-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N,1-trimethylpyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N,1-trimethyl-pyrrolidin-3-amine
MOLECULAR FORMULA: C16H22N4O2
MOLECULAR WEIGHT: 302.37148
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)N(C)C
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Product OPENEYE NAME: (3S,5S)-N-[[4-(dimethylamino)phenyl]methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
CAS Name: (3S,5S)-N-[[4-(dimethylamino)phenyl]methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-N-[[4-(dimethylamino)phenyl]methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-N-[[4-(dimethylamino)phenyl]methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
MOLECULAR FORMULA: C23H29N5O2
MOLECULAR WEIGHT: 407.50866
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)N(C)C
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Product OPENEYE NAME: (3S,5S)-N-(cyclopropylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
CAS Name: (3S,5S)-N-(cyclopropylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-N-(cyclopropylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-N-(cyclopropylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
MOLECULAR FORMULA: C18H24N4O2
MOLECULAR WEIGHT: 328.40876
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4CC4
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Product OPENEYE NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(p-tolylmethyl)pyrrolidin-3-amine
CAS Name: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-[(4-methylphenyl)methyl]-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
MOLECULAR FORMULA: C22H26N4O2
MOLECULAR WEIGHT: 378.46744
SMILES: CC1=CC=C(C=C1)CN[C@H]2C[C@H](N(C2)C)C3=NC(=NO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (3S,5S)-N-[(4-methoxyphenyl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
CAS Name: (3S,5S)-N-[(4-methoxyphenyl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-N-[(4-methoxyphenyl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-N-[(4-methoxyphenyl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
MOLECULAR FORMULA: C22H26N4O3
MOLECULAR WEIGHT: 394.46684
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)OC
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Product OPENEYE NAME: (3S,5S)-N-(benzofuran-2-ylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
CAS Name: (3S,5S)-N-(2-benzofuranylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinamine
IUPAC NAME: (3S,5S)-N-(1-benzofuran-2-ylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: (3S,5S)-N-(1-benzofuran-2-ylmethyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-pyrrolidin-3-amine
MOLECULAR FORMULA: C23H24N4O3
MOLECULAR WEIGHT: 404.46166
SMILES: CN1C[C@H](C[C@H]1C2=NC(=NO2)C3=CC=C(C=C3)OC)NCC4=CC5=CC=CC=C5O4
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Product OPENEYE NAME: 1-[4-[(2S)-2-[3-[2-(2-methoxyethylamino)-4-pyridyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-piperidyl]ethanone
CAS Name: 1-[4-[(2S)-2-[3-[2-(2-methoxyethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]-1-piperidinyl]ethanone
IUPAC NAME: 1-[4-[(2S)-2-[3-[2-(2-methoxyethylamino)pyridin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[(2S)-2-[3-[2-(2-methoxyethylamino)pyridin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C21H30N6O3
MOLECULAR WEIGHT: 414.5013
SMILES: CC(=O)N1CCC(CC1)N2CCC[C@H]2C3=NC(=NO3)C4=CC(=NC=C4)NCCOC
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Product OPENEYE NAME: 4-[5-[(2S)-1-benzylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
CAS Name: N-(2-methoxyethyl)-4-[5-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinamine
IUPAC NAME: 4-[5-[(2S)-1-benzylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
SYSTEMATIC NAME: N-(2-methoxyethyl)-4-[5-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
MOLECULAR FORMULA: C21H25N5O2
MOLECULAR WEIGHT: 379.4555
SMILES: COCCNC1=NC=CC(=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC=CC=C4
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Product OPENEYE NAME: 4-[5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
CAS Name: 4-[5-[(2S)-1-[(2-fluorophenyl)methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)-2-pyridinamine
IUPAC NAME: 4-[5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
SYSTEMATIC NAME: 4-[5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
MOLECULAR FORMULA: C21H24FN5O2
MOLECULAR WEIGHT: 397.445963
SMILES: COCCNC1=NC=CC(=C1)C2=NOC(=N2)[C@@H]3CCCN3CC4=CC=CC=C4F
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Product OPENEYE NAME: N-(2-methoxyethyl)-4-[5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CAS Name: N-(2-methoxyethyl)-4-[5-[(2S)-1-methyl-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinamine
IUPAC NAME: N-(2-methoxyethyl)-4-[5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SYSTEMATIC NAME: N-(2-methoxyethyl)-4-[5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
MOLECULAR FORMULA: C15H21N5O2
MOLECULAR WEIGHT: 303.35954
SMILES: CN1CCC[C@H]1C2=NC(=NO2)C3=CC(=NC=C3)NCCOC
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Product OPENEYE NAME: 4-[5-[(2S)-1-isobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
CAS Name: N-(2-methoxyethyl)-4-[5-[(2S)-1-(2-methylpropyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinamine
IUPAC NAME: N-(2-methoxyethyl)-4-[5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SYSTEMATIC NAME: N-(2-methoxyethyl)-4-[5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
MOLECULAR FORMULA: C18H27N5O2
MOLECULAR WEIGHT: 345.43928
SMILES: CC(C)CN1CCC[C@H]1C2=NC(=NO2)C3=CC(=NC=C3)NCCOC
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