Friday, February 3, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[2-(1-naphthylmethoxy)-3-(1-piperidyl)propyl]piperidine
CAS Name: 1-[2-(1-naphthalenylmethoxy)-3-(1-piperidinyl)propyl]piperidine
IUPAC NAME: 1-[2-(naphthalen-1-ylmethoxy)-3-piperidin-1-ylpropyl]piperidine
SYSTEMATIC NAME: 1-[2-(naphthalen-1-ylmethoxy)-3-piperidin-1-yl-propyl]piperidine
MOLECULAR FORMULA: C24H34N2O
MOLECULAR WEIGHT: 366.53956
SMILES: C1CCN(CC1)CC(CN2CCCCC2)OCC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: 2-(4-morpholinophenyl)acetic acid
CAS Name: 2-[4-(4-morpholinyl)phenyl]acetic acid
IUPAC NAME: 2-(4-morpholin-4-ylphenyl)acetic acid
SYSTEMATIC NAME: 2-(4-morpholin-4-ylphenyl)ethanoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: C1COCCN1C2=CC=C(C=C2)CC(=O)O
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Product OPENEYE NAME: N,N,N',N'-tetraethyl-1-(2-methoxyphenoxy)ethane-1,2-diamine
CAS Name: N,N,N',N'-tetraethyl-1-(2-methoxyphenoxy)ethane-1,2-diamine
IUPAC NAME: N,N,N',N'-tetraethyl-1-(2-methoxyphenoxy)ethane-1,2-diamine
SYSTEMATIC NAME: N,N,N',N'-tetraethyl-1-(2-methoxyphenoxy)ethane-1,2-diamine
MOLECULAR FORMULA: C17H30N2O2
MOLECULAR WEIGHT: 294.4323
SMILES: CCN(CC)CC(N(CC)CC)OC1=CC=CC=C1OC
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Product OPENEYE NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-isobenzofuran-5-carboxamide
CAS Name: N-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-5-isobenzofurancarboxamide
IUPAC NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
SYSTEMATIC NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxamide
MOLECULAR FORMULA: C36H35N5O7
MOLECULAR WEIGHT: 649.6924
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)C(=O)OC5=O)CN6CCN(CC6)C7=NC=CC=N7
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Product OPENEYE NAME: [2-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl-[2-(2-pyridyl)ethyl]amino]methyl]-5-phenyl-1,3-dioxan-2-yl]anilino]-1-methyl-2-oxo-ethyl] acetate
CAS Name: acetic acid [1-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl-[2-(2-pyridinyl)ethyl]amino]methyl]-5-phenyl-1,3-dioxan-2-yl]anilino]-1-oxopropan-2-yl] ester
IUPAC NAME: [1-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-5-phenyl-1,3-dioxan-2-yl]anilino]-1-oxopropan-2-yl] acetate
SYSTEMATIC NAME: [1-[[3-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] ethanoate
MOLECULAR FORMULA: C37H41N3O6
MOLECULAR WEIGHT: 623.73794
SMILES: CC(C(=O)NC1=CC=CC(=C1)C2OC(C(C(O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CN(C)CCC5=CC=CC=N5)OC(=O)C
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Product OPENEYE NAME: 2,3,4,5,6-pentafluoro-N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(morpholinomethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CAS Name: 2,3,4,5,6-pentafluoro-N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(4-morpholinylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
IUPAC NAME: 2,3,4,5,6-pentafluoro-N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(fluoranyl)-N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
MOLECULAR FORMULA: C37H35F5N2O5
MOLECULAR WEIGHT: 682.676216
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCOCC6
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Product OPENEYE NAME: benzyl N-[1-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]-2,5-dioxo-pyrrolidin-3-yl]carbamate
CAS Name: N-[1-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(2-pyrimidinylthio)methyl]-1,3-dioxan-2-yl]phenyl]-2,5-dioxo-3-pyrrolidinyl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[1-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
MOLECULAR FORMULA: C35H34N4O7S
MOLECULAR WEIGHT: 654.73206
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC=CC=N6
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Product OPENEYE NAME: [2-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-methyl-2-oxo-ethyl] acetate
CAS Name: acetic acid [1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] acetate
SYSTEMATIC NAME: [1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl] ethanoate
MOLECULAR FORMULA: C33H37N5O6S
MOLECULAR WEIGHT: 631.74178
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C(C)OC(=O)C)CSC5=NN=NN5C
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Product OPENEYE NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzamide
CAS Name: N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzamide
IUPAC NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzamide
SYSTEMATIC NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[methyl(1-phenylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzamide
MOLECULAR FORMULA: C36H40N2O4
MOLECULAR WEIGHT: 564.7138
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C4=CC=CC=C4)CN(C)C(C)C5=CC=CC=C5
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Product OPENEYE NAME: 2-amino-5-hydroxy-5-oxo-pentanoate
CAS Name: 2-amino-5-hydroxy-5-oxopentanoate
IUPAC NAME: 2-amino-5-hydroxy-5-oxopentanoate
SYSTEMATIC NAME: 2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C5H8NO4-
MOLECULAR WEIGHT: 146.12132
SMILES: C(CC(=O)O)C(C(=O)[O-])N
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Product OPENEYE NAME: 2-(4-nitrophenyl)-3-phenyl-5-(2-thienyl)-3,4-dihydropyrazole
CAS Name: 2-(4-nitrophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
IUPAC NAME: 2-(4-nitrophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SYSTEMATIC NAME: 2-(4-nitrophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
MOLECULAR FORMULA: C19H15N3O2S
MOLECULAR WEIGHT: 349.4063
SMILES: C1C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
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Product OPENEYE NAME: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
CAS Name: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
IUPAC NAME: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
SYSTEMATIC NAME: 3-(2,4-dimethylphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate
MOLECULAR FORMULA: C19H18NO3-
MOLECULAR WEIGHT: 308.35112
SMILES: CC1=CC(=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)[O-])C
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Product OPENEYE NAME: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CAS Name: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
IUPAC NAME: 3-(2,4-dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
SYSTEMATIC NAME: 3-(2,4-dimethylphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid
MOLECULAR FORMULA: C19H19NO3
MOLECULAR WEIGHT: 309.35906
SMILES: CC1=CC(=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)O)C
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Product OPENEYE NAME: 3-(3-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
CAS Name: 3-(3-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
IUPAC NAME: 3-(3-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
SYSTEMATIC NAME: 3-(3-chlorophenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate
MOLECULAR FORMULA: C17H13ClNO3-
MOLECULAR WEIGHT: 314.74302
SMILES: CN1C(C(C2=CC=CC=C2C1=O)C(=O)[O-])C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 3-(3-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CAS Name: 3-(3-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
IUPAC NAME: 3-(3-chlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
SYSTEMATIC NAME: 3-(3-chlorophenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid
MOLECULAR FORMULA: C17H14ClNO3
MOLECULAR WEIGHT: 315.75096
SMILES: CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=CC=C3)Cl
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