Friday, February 3, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(3-chlorophenyl)-N'-[[3-ethoxy-4-(1-naphthylmethoxy)phenyl]methyleneamino]propanediamide
CAS Name: N-(3-chlorophenyl)-N'-[[3-ethoxy-4-(1-naphthalenylmethoxy)phenyl]methylideneamino]propanediamide
IUPAC NAME: N-(3-chlorophenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide
MOLECULAR FORMULA: C29H26ClN3O4
MOLECULAR WEIGHT: 515.98744
SMILES: CCOC1=C(C=CC(=C1)C=NNC(=O)CC(=O)NC2=CC(=CC=C2)Cl)OCC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: 1,4-bis(2-vinylsulfonylethyl)piperazine
CAS Name: 1,4-bis(2-ethenylsulfonylethyl)piperazine
IUPAC NAME: 1,4-bis(2-ethenylsulfonylethyl)piperazine
SYSTEMATIC NAME: 1,4-bis(2-ethenylsulfonylethyl)piperazine
MOLECULAR FORMULA: C12H22N2O4S2
MOLECULAR WEIGHT: 322.44408
SMILES: C=CS(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)C=C
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Product OPENEYE NAME: N-[1-(benzylcarbamoyl)-2-(3-nitrophenyl)prop-1-enyl]benzamide
CAS Name: N-[3-(3-nitrophenyl)-1-oxo-1-[(phenylmethyl)amino]but-2-en-2-yl]benzamide
IUPAC NAME: N-[1-(benzylamino)-3-(3-nitrophenyl)-1-oxobut-2-en-2-yl]benzamide
SYSTEMATIC NAME: N-[3-(3-nitrophenyl)-1-oxidanylidene-1-[(phenylmethyl)amino]but-2-en-2-yl]benzamide
MOLECULAR FORMULA: C24H21N3O4
MOLECULAR WEIGHT: 415.44124
SMILES: CC(=C(C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[3-(5-bromo-2-methoxy-phenyl)-2-(4-chlorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
CAS Name: 1-[3-(5-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-4-[4-(1-pyrrolidinyl)phenyl]-3H-1,2,4-triazol-5-yl]ethanone
IUPAC NAME: 1-[3-(5-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
SYSTEMATIC NAME: 1-[3-(5-bromanyl-2-methoxy-phenyl)-2-(4-chlorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone
MOLECULAR FORMULA: C27H26BrClN4O2
MOLECULAR WEIGHT: 553.87794
SMILES: CC(=O)C1=NN(C(N1C2=CC=C(C=C2)N3CCCC3)C4=C(C=CC(=C4)Br)OC)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: 4-oxo-2,4-bis(p-tolyl)butanoic acid
CAS Name: 2,4-bis(4-methylphenyl)-4-oxobutanoic acid
IUPAC NAME: 2,4-bis(4-methylphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 2,4-bis(4-methylphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: CC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C)C(=O)O
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Product OPENEYE NAME: N-[5-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]-2-methyl-phenyl]acetamide
CAS Name: N-[5-[(1,3-dimethyl-4-pyrazolo[3,4-b]quinolinyl)amino]-2-methylphenyl]acetamide
IUPAC NAME: N-[5-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]-2-methylphenyl]acetamide
SYSTEMATIC NAME: N-[5-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]-2-methyl-phenyl]ethanamide
MOLECULAR FORMULA: C21H21N5O
MOLECULAR WEIGHT: 359.42434
SMILES: CC1=C(C=C(C=C1)NC2=C3C(=NN(C3=NC4=CC=CC=C42)C)C)NC(=O)C
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Product OPENEYE NAME: 2,6-dimethyl-4-[5-(3-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5-dicarbonitrile
CAS Name: 2,6-dimethyl-4-[5-(3-nitrophenyl)-2-furanyl]-1,4-dihydropyridine-3,5-dicarbonitrile
IUPAC NAME: 2,6-dimethyl-4-[5-(3-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
SYSTEMATIC NAME: 2,6-dimethyl-4-[5-(3-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
MOLECULAR FORMULA: C19H14N4O3
MOLECULAR WEIGHT: 346.33946
SMILES: CC1=C(C(C(=C(N1)C)C#N)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C#N
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Product OPENEYE NAME: 4-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]thiazol-2-amine
CAS Name: 4-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-2-thiazolamine
IUPAC NAME: 4-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C18H15F3N2OS
MOLECULAR WEIGHT: 364.38471
SMILES: CCOC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: ethyl 1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]sulfonylpiperidine-4-carboxylate
CAS Name: 1-[4-[[(2,4-dichlorophenyl)-oxomethyl]amino]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]sulfonylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[4-[(2,4-dichlorophenyl)carbonylamino]phenyl]sulfonylpiperidine-4-carboxylate
MOLECULAR FORMULA: C21H22Cl2N2O5S
MOLECULAR WEIGHT: 485.38078
SMILES: CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-[(4-allyloxyphenyl)methyleneamino]-2-(2-bromophenoxy)propanamide
CAS Name: 2-(2-bromophenoxy)-N-[(4-prop-2-enoxyphenyl)methylideneamino]propanamide
IUPAC NAME: 2-(2-bromophenoxy)-N-[(4-prop-2-enoxyphenyl)methylideneamino]propanamide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)-N-[(4-prop-2-enoxyphenyl)methylideneamino]propanamide
MOLECULAR FORMULA: C19H19BrN2O3
MOLECULAR WEIGHT: 403.26976
SMILES: CC(C(=O)NN=CC1=CC=C(C=C1)OCC=C)OC2=CC=CC=C2Br
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Product OPENEYE NAME: 2-[[4-allyl-5-[(1-naphthylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4-dimethoxyphenyl)methyleneamino]propanamide
CAS Name: N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[[5-[(1-naphthalenylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide
IUPAC NAME: N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[[5-[(naphthalen-1-ylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SYSTEMATIC NAME: N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[[5-[(naphthalen-1-ylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
MOLECULAR FORMULA: C28H30N6O3S
MOLECULAR WEIGHT: 530.6412
SMILES: CC(C(=O)NN=CC1=C(C=C(C=C1)OC)OC)SC2=NN=C(N2CC=C)CNC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: N-(2-methoxydibenzofuran-3-yl)-3-nitro-1H-pyrazole-5-carboxamide
CAS Name: N-(2-methoxy-3-dibenzofuranyl)-3-nitro-1H-pyrazole-5-carboxamide
IUPAC NAME: N-(2-methoxydibenzofuran-3-yl)-3-nitro-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: N-(2-methoxydibenzofuran-3-yl)-3-nitro-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C17H12N4O5
MOLECULAR WEIGHT: 352.30098
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CC(=NN4)[N+](=O)[O-]
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Product OPENEYE NAME: N-[1-carbamoyl-2-(3-nitrophenyl)vinyl]-4-methoxy-benzamide
CAS Name: N-[3-amino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
IUPAC NAME: N-[3-amino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
SYSTEMATIC NAME: N-[3-azanyl-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methoxy-benzamide
MOLECULAR FORMULA: C17H15N3O5
MOLECULAR WEIGHT: 341.3181
SMILES: COC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N
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Product OPENEYE NAME: 6-amino-8-(1,3-benzodioxol-5-yl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS Name: 6-amino-8-(1,3-benzodioxol-5-yl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
IUPAC NAME: 6-amino-8-(1,3-benzodioxol-5-yl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SYSTEMATIC NAME: 6-azanyl-8-(1,3-benzodioxol-5-yl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
MOLECULAR FORMULA: C22H21N5O2
MOLECULAR WEIGHT: 387.43444
SMILES: CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: o-tolyl(3-pyridyl)methanol
CAS Name: (2-methylphenyl)-(3-pyridinyl)methanol
IUPAC NAME: (2-methylphenyl)-pyridin-3-ylmethanol
SYSTEMATIC NAME: (2-methylphenyl)-pyridin-3-yl-methanol
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: CC1=CC=CC=C1C(C2=CN=CC=C2)O
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Product OPENEYE NAME: 2-benzamido-3-phenyl-but-2-enoic acid
CAS Name: 2-benzamido-3-phenyl-2-butenoic acid
IUPAC NAME: 2-benzamido-3-phenylbut-2-enoic acid
SYSTEMATIC NAME: 2-benzamido-3-phenyl-but-2-enoic acid
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: CC(=C(C(=O)O)NC(=O)C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 3-hexadecylsulfanyl-5-propyl-1H-1,2,4-triazole
CAS Name: 3-(hexadecylthio)-5-propyl-1H-1,2,4-triazole
IUPAC NAME: 3-hexadecylsulfanyl-5-propyl-1H-1,2,4-triazole
SYSTEMATIC NAME: 3-hexadecylsulfanyl-5-propyl-1H-1,2,4-triazole
MOLECULAR FORMULA: C21H41N3S
MOLECULAR WEIGHT: 367.63534
SMILES: CCCCCCCCCCCCCCCCSC1=NNC(=N1)CCC
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Product OPENEYE NAME: ethyl 1,3-dioxo-4,7-diphenyl-indane-2-carboxylate
CAS Name: 1,3-dioxo-4,7-diphenyl-2-indenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1,3-dioxo-4,7-diphenylindene-2-carboxylate
SYSTEMATIC NAME: ethyl 1,3-bis(oxidanylidene)-4,7-diphenyl-indene-2-carboxylate
MOLECULAR FORMULA: C24H18O4
MOLECULAR WEIGHT: 370.39732
SMILES: CCOC(=O)C1C(=O)C2=C(C=CC(=C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1,3-dicyano-2,2-dimethyl-cyclobutane-1,3-dicarboxylic acid
CAS Name: 1,3-dicyano-2,2-dimethylcyclobutane-1,3-dicarboxylic acid
IUPAC NAME: 1,3-dicyano-2,2-dimethylcyclobutane-1,3-dicarboxylic acid
SYSTEMATIC NAME: 1,3-dicyano-2,2-dimethyl-cyclobutane-1,3-dicarboxylic acid
MOLECULAR FORMULA: C10H10N2O4
MOLECULAR WEIGHT: 222.1974
SMILES: CC1(C(CC1(C#N)C(=O)O)(C#N)C(=O)O)C
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