Tuesday, May 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CAS Name: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)-2-propenamide
IUPAC NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C22H27N3O4
MOLECULAR WEIGHT: 397.46748
SMILES: CCN(CC)[C@H](CNC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)OC
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Product OPENEYE NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]ethyl]ammonium
CAS Name: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]amino]ethyl]ammonium
IUPAC NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]ethyl]azanium
SYSTEMATIC NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]ethyl]azanium
MOLECULAR FORMULA: C25H35N2O5+
MOLECULAR WEIGHT: 443.5558
SMILES: CC[NH+](CC)[C@@H](CNC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CAS Name: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide
IUPAC NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C25H34N2O5
MOLECULAR WEIGHT: 442.54786
SMILES: CCN(CC)[C@@H](CNC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]ethyl]ammonium
CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]amino]ethyl]ammonium
IUPAC NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]ethyl]azanium
SYSTEMATIC NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]ethyl]azanium
MOLECULAR FORMULA: C25H35N2O5+
MOLECULAR WEIGHT: 443.5558
SMILES: CC[NH+](CC)[C@H](CNC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CAS Name: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide
IUPAC NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C25H34N2O5
MOLECULAR WEIGHT: 442.54786
SMILES: CCN(CC)[C@H](CNC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: diethyl-[(1R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-1-(3-methoxyphenyl)ethyl]ammonium
CAS Name: diethyl-[(1R)-2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-(3-methoxyphenyl)ethyl]ammonium
IUPAC NAME: diethyl-[(1R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-1-(3-methoxyphenyl)ethyl]azanium
SYSTEMATIC NAME: diethyl-[(1R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-1-(3-methoxyphenyl)ethyl]azanium
MOLECULAR FORMULA: C22H28FN2O2+
MOLECULAR WEIGHT: 371.468323
SMILES: CC[NH+](CC)[C@@H](CNC(=O)/C=C/C1=CC=C(C=C1)F)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CAS Name: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-fluorophenyl)-2-propenamide
IUPAC NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C22H27FN2O2
MOLECULAR WEIGHT: 370.460383
SMILES: CCN(CC)[C@@H](CNC(=O)/C=C/C1=CC=C(C=C1)F)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: diethyl-[(1S)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-1-(3-methoxyphenyl)ethyl]ammonium
CAS Name: diethyl-[(1S)-2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-(3-methoxyphenyl)ethyl]ammonium
IUPAC NAME: diethyl-[(1S)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-1-(3-methoxyphenyl)ethyl]azanium
SYSTEMATIC NAME: diethyl-[(1S)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-1-(3-methoxyphenyl)ethyl]azanium
MOLECULAR FORMULA: C22H28FN2O2+
MOLECULAR WEIGHT: 371.468323
SMILES: CC[NH+](CC)[C@H](CNC(=O)/C=C/C1=CC=C(C=C1)F)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CAS Name: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-fluorophenyl)-2-propenamide
IUPAC NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C22H27FN2O2
MOLECULAR WEIGHT: 370.460383
SMILES: CCN(CC)[C@H](CNC(=O)/C=C/C1=CC=C(C=C1)F)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]ethyl]ammonium
CAS Name: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-1-oxo-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]prop-2-enyl]amino]ethyl]ammonium
IUPAC NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]ethyl]azanium
SYSTEMATIC NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]ethyl]azanium
MOLECULAR FORMULA: C26H34N3O3+
MOLECULAR WEIGHT: 436.56646
SMILES: CC[NH+](CC)[C@@H](CNC(=O)/C=C/C1=CC=C(C=C1)N2CCCC2=O)C3=CC(=CC=C3)OC
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Product OPENEYE NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CAS Name: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]-2-propenamide
IUPAC NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C26H33N3O3
MOLECULAR WEIGHT: 435.55852
SMILES: CCN(CC)[C@@H](CNC(=O)/C=C/C1=CC=C(C=C1)N2CCCC2=O)C3=CC(=CC=C3)OC
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Product OPENEYE NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]ethyl]ammonium
CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-1-oxo-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]prop-2-enyl]amino]ethyl]ammonium
IUPAC NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]ethyl]azanium
SYSTEMATIC NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]ethyl]azanium
MOLECULAR FORMULA: C26H34N3O3+
MOLECULAR WEIGHT: 436.56646
SMILES: CC[NH+](CC)[C@H](CNC(=O)/C=C/C1=CC=C(C=C1)N2CCCC2=O)C3=CC(=CC=C3)OC
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Product OPENEYE NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CAS Name: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]-2-propenamide
IUPAC NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C26H33N3O3
MOLECULAR WEIGHT: 435.55852
SMILES: CCN(CC)[C@H](CNC(=O)/C=C/C1=CC=C(C=C1)N2CCCC2=O)C3=CC(=CC=C3)OC
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Product OPENEYE NAME: 1-(4-benzyloxy-1-piperidyl)-3-[5-(4-chlorophenyl)oxazol-2-yl]propan-1-one
CAS Name: 3-[5-(4-chlorophenyl)-2-oxazolyl]-1-(4-phenylmethoxy-1-piperidinyl)-1-propanone
IUPAC NAME: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
SYSTEMATIC NAME: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
MOLECULAR FORMULA: C24H25ClN2O3
MOLECULAR WEIGHT: 424.9199
SMILES: C1CN(CCC1OCC2=CC=CC=C2)C(=O)CCC3=NC=C(O3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-(4-benzyloxy-1-piperidyl)-3-[5-(2,6-difluorophenyl)oxazol-2-yl]propan-1-one
CAS Name: 3-[5-(2,6-difluorophenyl)-2-oxazolyl]-1-(4-phenylmethoxy-1-piperidinyl)-1-propanone
IUPAC NAME: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
SYSTEMATIC NAME: 3-[5-[2,6-bis(fluoranyl)phenyl]-1,3-oxazol-2-yl]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
MOLECULAR FORMULA: C24H24F2N2O3
MOLECULAR WEIGHT: 426.455766
SMILES: C1CN(CCC1OCC2=CC=CC=C2)C(=O)CCC3=NC=C(O3)C4=C(C=CC=C4F)F
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Product OPENEYE NAME: 3-[3-(4-benzyloxy-1-piperidyl)-3-oxo-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one
CAS Name: 5,6-dimethyl-3-[3-oxo-3-(4-phenylmethoxy-1-piperidinyl)propyl]-4-thieno[2,3-d]pyrimidinone
IUPAC NAME: 5,6-dimethyl-3-[3-oxo-3-(4-phenylmethoxypiperidin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5,6-dimethyl-3-[3-oxidanylidene-3-(4-phenylmethoxypiperidin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C23H27N3O3S
MOLECULAR WEIGHT: 425.54378
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCC(CC3)OCC4=CC=CC=C4)C
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Product OPENEYE NAME: 1-(4-benzyloxy-1-piperidyl)-2-[(1-bromo-2-naphthyl)oxy]ethanone
CAS Name: 2-[(1-bromo-2-naphthalenyl)oxy]-1-(4-phenylmethoxy-1-piperidinyl)ethanone
IUPAC NAME: 2-(1-bromonaphthalen-2-yl)oxy-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SYSTEMATIC NAME: 2-(1-bromanylnaphthalen-2-yl)oxy-1-(4-phenylmethoxypiperidin-1-yl)ethanone
MOLECULAR FORMULA: C24H24BrNO3
MOLECULAR WEIGHT: 454.35626
SMILES: C1CN(CCC1OCC2=CC=CC=C2)C(=O)COC3=C(C4=CC=CC=C4C=C3)Br
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Product OPENEYE NAME: 1-(4-benzyloxy-1-piperidyl)-2-[5-methyl-2-(2-thienyl)oxazol-4-yl]ethanone
CAS Name: 2-(5-methyl-2-thiophen-2-yl-4-oxazolyl)-1-(4-phenylmethoxy-1-piperidinyl)ethanone
IUPAC NAME: 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SYSTEMATIC NAME: 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
MOLECULAR FORMULA: C22H24N2O3S
MOLECULAR WEIGHT: 396.50256
SMILES: CC1=C(N=C(O1)C2=CC=CS2)CC(=O)N3CCC(CC3)OCC4=CC=CC=C4
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Product OPENEYE NAME: (3R)-1-(furan-2-carbonyl)-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
CAS Name: (3R)-1-[2-furanyl(oxo)methyl]-N-[2-(phenylthio)phenyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-1-(furan-2-carbonyl)-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(furan-2-ylcarbonyl)-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C23H22N2O3S
MOLECULAR WEIGHT: 406.49738
SMILES: C1C[C@H](CN(C1)C(=O)C2=CC=CO2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4
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