Friday, December 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
CAS Name: 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
IUPAC NAME: 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C11H15F3N4O4
MOLECULAR WEIGHT: 324.25641
SMILES: CCOCC1=NOC(=N1)C2CNC=NC2.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: 3-(methoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
CAS Name: 3-(methoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
IUPAC NAME: 3-(methoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 3-(methoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C10H13F3N4O4
MOLECULAR WEIGHT: 310.22983
SMILES: COCC1=NOC(=N1)C2CNC=NC2.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: 6-chloro-4-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: 6-chloro-4-methyl-N-[[(2R)-1-(2-phenylethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: 6-chloro-4-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-4-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C23H28ClN3O2
MOLECULAR WEIGHT: 413.94032
SMILES: CN1CCOC2=C1C=C(C=C2C(=O)NC[C@H]3CCCN3CCC4=CC=CC=C4)Cl
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Product OPENEYE NAME: 6-chloro-4-methyl-N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: 6-chloro-4-methyl-N-[[(2S)-1-(2-phenylethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: 6-chloro-4-methyl-N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-4-methyl-N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C23H28ClN3O2
MOLECULAR WEIGHT: 413.94032
SMILES: CN1CCOC2=C1C=C(C=C2C(=O)NC[C@@H]3CCCN3CCC4=CC=CC=C4)Cl
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Product OPENEYE NAME: N-(4-bromophenyl)-5-decyl-2-hydroxy-benzamide
CAS Name: N-(4-bromophenyl)-5-decyl-2-hydroxybenzamide
IUPAC NAME: N-(4-bromophenyl)-5-decyl-2-hydroxybenzamide
SYSTEMATIC NAME: N-(4-bromophenyl)-5-decyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C23H30BrNO2
MOLECULAR WEIGHT: 432.3938
SMILES: CCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)NC2=CC=C(C=C2)Br
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Product OPENEYE NAME: pentyl (E)-4-[methyl(1-naphthylmethyl)amino]but-2-enoate
CAS Name: (E)-4-[methyl(1-naphthalenylmethyl)amino]-2-butenoic acid pentyl ester
IUPAC NAME: pentyl (E)-4-[methyl(naphthalen-1-ylmethyl)amino]but-2-enoate
SYSTEMATIC NAME: pentyl (E)-4-[methyl(naphthalen-1-ylmethyl)amino]but-2-enoate
MOLECULAR FORMULA: C21H27NO2
MOLECULAR WEIGHT: 325.44458
SMILES: CCCCCOC(=O)/C=C/CN(C)CC1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: (E)-3-(2-furyl)-N-methyl-N-(1-naphthylmethyl)prop-2-en-1-amine
CAS Name: (E)-3-(2-furanyl)-N-methyl-N-(1-naphthalenylmethyl)-2-propen-1-amine
IUPAC NAME: (E)-3-(furan-2-yl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
MOLECULAR FORMULA: C19H19NO
MOLECULAR WEIGHT: 277.36026
SMILES: CN(C/C=C/C1=CC=CO1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: (E)-N-methyl-N-(1-naphthylmethyl)but-2-en-1-amine
CAS Name: (E)-N-methyl-N-(1-naphthalenylmethyl)-2-buten-1-amine
IUPAC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)but-2-en-1-amine
SYSTEMATIC NAME: (E)-N-methyl-N-(naphthalen-1-ylmethyl)but-2-en-1-amine
MOLECULAR FORMULA: C16H19N
MOLECULAR WEIGHT: 225.32876
SMILES: C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: (E)-4-[methyl(1-naphthylmethyl)amino]but-2-enenitrile
CAS Name: (E)-4-[methyl(1-naphthalenylmethyl)amino]-2-butenenitrile
IUPAC NAME: (E)-4-[methyl(naphthalen-1-ylmethyl)amino]but-2-enenitrile
SYSTEMATIC NAME: (E)-4-[methyl(naphthalen-1-ylmethyl)amino]but-2-enenitrile
MOLECULAR FORMULA: C16H16N2
MOLECULAR WEIGHT: 236.31164
SMILES: CN(C/C=C/C#N)CC1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: (1E)-5-(methoxymethyl)cyclohexene-1-carbaldehyde oxime
CAS Name: (1E)-5-(methoxymethyl)-1-cyclohexenecarboxaldehyde oxime
IUPAC NAME: (NE)-N-[[5-(methoxymethyl)cyclohexen-1-yl]methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[[5-(methoxymethyl)cyclohexen-1-yl]methylidene]hydroxylamine
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: COCC1CCC=C(C1)/C=N/O
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Product OPENEYE NAME: (1E)-4-methylcyclohexa-1,3-diene-1-carbaldehyde oxime
CAS Name: (1E)-4-methyl-1-cyclohexa-1,3-dienecarboxaldehyde oxime
IUPAC NAME: (NE)-N-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CC1=CC=C(CC1)/C=N/O
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Product OPENEYE NAME: (1E)-4-(1-methoxyethyl)cyclohexa-1,3-diene-1-carbaldehyde oxime
CAS Name: (1E)-4-(1-methoxyethyl)-1-cyclohexa-1,3-dienecarboxaldehyde oxime
IUPAC NAME: (NE)-N-[[4-(1-methoxyethyl)cyclohexa-1,3-dien-1-yl]methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[[4-(1-methoxyethyl)cyclohexa-1,3-dien-1-yl]methylidene]hydroxylamine
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CC(C1=CC=C(CC1)/C=N/O)OC
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Product OPENEYE NAME: (1E)-4-vinylcyclohexene-1-carbaldehyde oxime
CAS Name: (1E)-4-ethenyl-1-cyclohexenecarboxaldehyde oxime
IUPAC NAME: (NE)-N-[(4-ethenylcyclohexen-1-yl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(4-ethenylcyclohexen-1-yl)methylidene]hydroxylamine
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C=CC1CCC(=CC1)/C=N/O
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Product OPENEYE NAME: N'-[[4-(2-quinolyl)phenyl]methyl]ethane-1,2-diamine
CAS Name: N'-[[4-(2-quinolinyl)phenyl]methyl]ethane-1,2-diamine
IUPAC NAME: N'-[(4-quinolin-2-ylphenyl)methyl]ethane-1,2-diamine
SYSTEMATIC NAME: N'-[(4-quinolin-2-ylphenyl)methyl]ethane-1,2-diamine
MOLECULAR FORMULA: C18H19N3
MOLECULAR WEIGHT: 277.36356
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)CNCCN
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Product OPENEYE NAME: 3-pent-1-ynyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
CAS Name: 3-pent-1-ynyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
IUPAC NAME: 3-pent-1-ynyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 3-pent-1-ynyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C13H15F3N4O3
MOLECULAR WEIGHT: 332.27841
SMILES: CCCC#CC1=NOC(=N1)C2CNC=NC2.C(=O)(C(F)(F)F)O
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