Wednesday, March 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N,N-diethyl-piperidine-4-carboxamide
CAS Name: N,N-diethyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide
IUPAC NAME: N,N-diethyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SYSTEMATIC NAME: N,N-diethyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C25H34N2O3
MOLECULAR WEIGHT: 410.54906
SMILES: CCN(CC)C(=O)C1CCN(CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
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Product OPENEYE NAME: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-tert-butyl-piperidine-4-carboxamide
CAS Name: N-tert-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide
IUPAC NAME: N-tert-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SYSTEMATIC NAME: N-tert-butyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C25H34N2O3
MOLECULAR WEIGHT: 410.54906
SMILES: CC(C)(C)NC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
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Product OPENEYE NAME: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-isopentyl-piperidine-4-carboxamide
CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-methylbutyl)-4-piperidinecarboxamide
IUPAC NAME: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C26H36N2O3
MOLECULAR WEIGHT: 424.57564
SMILES: CC(C)CCNC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
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Product OPENEYE NAME: 4-ethoxy-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium
CAS Name: 4-ethoxy-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium
IUPAC NAME: 4-ethoxy-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium
SYSTEMATIC NAME: 4-ethoxy-2-oxidanidyl-3-phenyl-1,2,5-oxadiazol-2-ium
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: CCOC1=NO[N+](=C1C2=CC=CC=C2)[O-]
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Product OPENEYE NAME: methyl (2S)-2-acetamido-5-(1,3-dioxoisoindolin-2-yl)-2-(2-methyltetrazol-5-yl)pentanoate
CAS Name: (2S)-2-acetamido-5-(1,3-dioxo-2-isoindolyl)-2-(2-methyl-5-tetrazolyl)pentanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-acetamido-5-(1,3-dioxoisoindol-2-yl)-2-(2-methyltetrazol-5-yl)pentanoate
SYSTEMATIC NAME: methyl (2S)-2-acetamido-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-methyl-1,2,3,4-tetrazol-5-yl)pentanoate
MOLECULAR FORMULA: C18H20N6O5
MOLECULAR WEIGHT: 400.3886
SMILES: CC(=O)N[C@@](CCCN1C(=O)C2=CC=CC=C2C1=O)(C3=NN(N=N3)C)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-acetamido-5-(1,3-dioxoisoindolin-2-yl)-2-(2-methyltetrazol-5-yl)pentanoate
CAS Name: (2R)-2-acetamido-5-(1,3-dioxo-2-isoindolyl)-2-(2-methyl-5-tetrazolyl)pentanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-acetamido-5-(1,3-dioxoisoindol-2-yl)-2-(2-methyltetrazol-5-yl)pentanoate
SYSTEMATIC NAME: methyl (2R)-2-acetamido-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-methyl-1,2,3,4-tetrazol-5-yl)pentanoate
MOLECULAR FORMULA: C18H20N6O5
MOLECULAR WEIGHT: 400.3886
SMILES: CC(=O)N[C@](CCCN1C(=O)C2=CC=CC=C2C1=O)(C3=NN(N=N3)C)C(=O)OC
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Product OPENEYE NAME: methyl (2S)-2-acetamido-5-(1,3-dioxoisoindolin-2-yl)-2-(2H-tetrazol-5-yl)pentanoate
CAS Name: (2S)-2-acetamido-5-(1,3-dioxo-2-isoindolyl)-2-(2H-tetrazol-5-yl)pentanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-acetamido-5-(1,3-dioxoisoindol-2-yl)-2-(2H-tetrazol-5-yl)pentanoate
SYSTEMATIC NAME: methyl (2S)-2-acetamido-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2H-1,2,3,4-tetrazol-5-yl)pentanoate
MOLECULAR FORMULA: C17H18N6O5
MOLECULAR WEIGHT: 386.36202
SMILES: CC(=O)N[C@@](CCCN1C(=O)C2=CC=CC=C2C1=O)(C3=NNN=N3)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-acetamido-5-(1,3-dioxoisoindolin-2-yl)-2-(2H-tetrazol-5-yl)pentanoate
CAS Name: (2R)-2-acetamido-5-(1,3-dioxo-2-isoindolyl)-2-(2H-tetrazol-5-yl)pentanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-acetamido-5-(1,3-dioxoisoindol-2-yl)-2-(2H-tetrazol-5-yl)pentanoate
SYSTEMATIC NAME: methyl (2R)-2-acetamido-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2H-1,2,3,4-tetrazol-5-yl)pentanoate
MOLECULAR FORMULA: C17H18N6O5
MOLECULAR WEIGHT: 386.36202
SMILES: CC(=O)N[C@](CCCN1C(=O)C2=CC=CC=C2C1=O)(C3=NNN=N3)C(=O)OC
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Product OPENEYE NAME: (Z)-2-(4-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enenitrile
CAS Name: (Z)-2-(4-methoxyphenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenenitrile
IUPAC NAME: (Z)-2-(4-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enenitrile
MOLECULAR FORMULA: C16H17N3O
MOLECULAR WEIGHT: 267.32568
SMILES: CC1=C(C(=NN1C)C)/C=C(\C#N)/C2=CC=C(C=C2)OC
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Product OPENEYE NAME: (E)-2-(4-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enenitrile
CAS Name: (E)-2-(4-methoxyphenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenenitrile
IUPAC NAME: (E)-2-(4-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enenitrile
MOLECULAR FORMULA: C16H17N3O
MOLECULAR WEIGHT: 267.32568
SMILES: CC1=C(C(=NN1C)C)/C=C(/C#N)\C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 7-bromo-1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CAS Name: 7-bromo-1-[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-bromo-1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-bromanyl-1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C22H19BrN4O2
MOLECULAR WEIGHT: 451.31586
SMILES: CC1=CC(=NN1C(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4)C
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Product OPENEYE NAME: N-[(4aR,6R,7R,8S,8aR)-6-benzyloxy-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CAS Name: N-[(4aR,6R,7R,8S,8aR)-8-hydroxy-2,2-dimethyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
IUPAC NAME: N-[(4aR,6R,7R,8S,8aR)-8-hydroxy-2,2-dimethyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SYSTEMATIC NAME: N-[(4aR,6R,7R,8S,8aR)-2,2-dimethyl-8-oxidanyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide
MOLECULAR FORMULA: C18H25NO6
MOLECULAR WEIGHT: 351.3942
SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H]2[C@@H](COC(O2)(C)C)O[C@H]1OCC3=CC=CC=C3)O
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Product OPENEYE NAME: (2S)-1-(4-bromophenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CAS Name: (2S)-1-(4-bromophenoxy)-3-(2-ethyl-1-benzimidazolyl)-2-propanol
IUPAC NAME: (2S)-1-(4-bromophenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2S)-1-(4-bromanylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
MOLECULAR FORMULA: C18H19BrN2O2
MOLECULAR WEIGHT: 375.25966
SMILES: CCC1=NC2=CC=CC=C2N1C[C@@H](COC3=CC=C(C=C3)Br)O
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Product OPENEYE NAME: (2R)-1-(4-bromophenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CAS Name: (2R)-1-(4-bromophenoxy)-3-(2-ethyl-1-benzimidazolyl)-2-propanol
IUPAC NAME: (2R)-1-(4-bromophenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2R)-1-(4-bromanylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
MOLECULAR FORMULA: C18H19BrN2O2
MOLECULAR WEIGHT: 375.25966
SMILES: CCC1=NC2=CC=CC=C2N1C[C@H](COC3=CC=C(C=C3)Br)O
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Product OPENEYE NAME: methyl 2-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoate
CAS Name: 2-[(2S)-3-(5,6-dimethyl-1-benzimidazolyl)-2-hydroxypropoxy]benzoic acid methyl ester
IUPAC NAME: methyl 2-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoate
SYSTEMATIC NAME: methyl 2-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]benzoate
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C[C@@H](COC3=CC=CC=C3C(=O)OC)O
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Product OPENEYE NAME: methyl 2-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoate
CAS Name: 2-[(2R)-3-(5,6-dimethyl-1-benzimidazolyl)-2-hydroxypropoxy]benzoic acid methyl ester
IUPAC NAME: methyl 2-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoate
SYSTEMATIC NAME: methyl 2-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]benzoate
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C[C@H](COC3=CC=CC=C3C(=O)OC)O
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Product OPENEYE NAME: 4-[(2S)-3-[hydroxy-(4-methoxyphenyl)methylene]-2-(4-methoxyphenyl)-4,5-dioxo-pyrrolidin-1-yl]butanoic acid
CAS Name: 4-[(2S)-3-[hydroxy-(4-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxo-1-pyrrolidinyl]butanoic acid
IUPAC NAME: 4-[(2S)-3-[hydroxy-(4-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
SYSTEMATIC NAME: 4-[(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]butanoic acid
MOLECULAR FORMULA: C23H23NO7
MOLECULAR WEIGHT: 425.43122
SMILES: COC1=CC=C(C=C1)[C@H]2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2CCCC(=O)O
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