Monday, July 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[6-hydroxy-2-(propylamino)tetralin-5-yl]formamide
CAS Name: N-[2-hydroxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]formamide
IUPAC NAME: N-[2-hydroxy-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]formamide
SYSTEMATIC NAME: N-[2-oxidanyl-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanamide
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CCCNC1CCC2=C(C1)C=CC(=C2NC=O)O
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Product OPENEYE NAME: 7-methoxy-8-nitro-N,N-dipropyl-tetralin-2-amine
CAS Name: 7-methoxy-8-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
IUPAC NAME: 7-methoxy-8-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SYSTEMATIC NAME: 7-methoxy-8-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: CCCN(CCC)C1CCC2=C(C1)C(=C(C=C2)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 5-amino-2-(propylamino)tetralin-6-ol hydrobromide
CAS Name: 1-amino-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide
IUPAC NAME: 1-amino-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide
SYSTEMATIC NAME: 1-azanyl-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide
MOLECULAR FORMULA: C13H21BrN2O
MOLECULAR WEIGHT: 301.22264
SMILES: CCCNC1CCC2=C(C1)C=CC(=C2N)O.Br
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Product OPENEYE NAME: 5-amino-2-(propylamino)tetralin-6-ol
CAS Name: 1-amino-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC NAME: 1-amino-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: 1-azanyl-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CCCNC1CCC2=C(C1)C=CC(=C2N)O
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Product OPENEYE NAME: N-(3-amino-7-hydroxy-tetralin-6-yl)formamide hydrochloride
CAS Name: N-(7-amino-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)formamide hydrochloride
IUPAC NAME: N-(7-amino-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)formamide hydrochloride
SYSTEMATIC NAME: N-(7-azanyl-3-oxidanyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanamide hydrochloride
MOLECULAR FORMULA: C11H15ClN2O2
MOLECULAR WEIGHT: 242.702
SMILES: C1CC2=CC(=C(C=C2CC1N)NC=O)O.Cl
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Product OPENEYE NAME: N-(6-methoxytetralin-2-yl)propanamide
CAS Name: N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
IUPAC NAME: N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SYSTEMATIC NAME: N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CCC(=O)NC1CCC2=C(C1)C=CC(=C2)OC
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Product OPENEYE NAME: N-(6-methoxy-5-nitro-tetralin-2-yl)propanamide
CAS Name: N-(6-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
IUPAC NAME: N-(6-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SYSTEMATIC NAME: N-(6-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
MOLECULAR FORMULA: C14H18N2O4
MOLECULAR WEIGHT: 278.30372
SMILES: CCC(=O)NC1CCC2=C(C1)C=CC(=C2[N+](=O)[O-])OC
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Product OPENEYE NAME: 6-fluoro-2,3-dipropoxy-naphthalene-1,4-dione
CAS Name: 6-fluoro-2,3-dipropoxynaphthalene-1,4-dione
IUPAC NAME: 6-fluoro-2,3-dipropoxynaphthalene-1,4-dione
SYSTEMATIC NAME: 6-fluoranyl-2,3-dipropoxy-naphthalene-1,4-dione
MOLECULAR FORMULA: C16H17FO4
MOLECULAR WEIGHT: 292.302183
SMILES: CCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)F)OCCC
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Product OPENEYE NAME: 6-bromo-2,3-diethoxy-naphthalene-1,4-dione
CAS Name: 6-bromo-2,3-diethoxynaphthalene-1,4-dione
IUPAC NAME: 6-bromo-2,3-diethoxynaphthalene-1,4-dione
SYSTEMATIC NAME: 6-bromanyl-2,3-diethoxy-naphthalene-1,4-dione
MOLECULAR FORMULA: C14H13BrO4
MOLECULAR WEIGHT: 325.15462
SMILES: CCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)Br)OCC
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Product OPENEYE NAME: 2,3-diethoxy-6-fluoro-naphthalene-1,4-dione
CAS Name: 2,3-diethoxy-6-fluoronaphthalene-1,4-dione
IUPAC NAME: 2,3-diethoxy-6-fluoronaphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-diethoxy-6-fluoranyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C14H13FO4
MOLECULAR WEIGHT: 264.249023
SMILES: CCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)F)OCC
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Product OPENEYE NAME: 6,7-diethoxy-5,8-dioxo-naphthalene-2-carbonitrile
CAS Name: 6,7-diethoxy-5,8-dioxo-2-naphthalenecarbonitrile
IUPAC NAME: 6,7-diethoxy-5,8-dioxonaphthalene-2-carbonitrile
SYSTEMATIC NAME: 6,7-diethoxy-5,8-bis(oxidanylidene)naphthalene-2-carbonitrile
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: CCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)C#N)OCC
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Product OPENEYE NAME: 6-bromo-2,3-dipropoxy-naphthalene-1,4-dione
CAS Name: 6-bromo-2,3-dipropoxynaphthalene-1,4-dione
IUPAC NAME: 6-bromo-2,3-dipropoxynaphthalene-1,4-dione
SYSTEMATIC NAME: 6-bromanyl-2,3-dipropoxy-naphthalene-1,4-dione
MOLECULAR FORMULA: C16H17BrO4
MOLECULAR WEIGHT: 353.20778
SMILES: CCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)Br)OCCC
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Product OPENEYE NAME: 6,7-dibutoxy-5,8-dioxo-naphthalene-2-carbonitrile
CAS Name: 6,7-dibutoxy-5,8-dioxo-2-naphthalenecarbonitrile
IUPAC NAME: 6,7-dibutoxy-5,8-dioxonaphthalene-2-carbonitrile
SYSTEMATIC NAME: 6,7-dibutoxy-5,8-bis(oxidanylidene)naphthalene-2-carbonitrile
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CCCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)C#N)OCCCC
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Product OPENEYE NAME: 2,3-dibutoxy-6-fluoro-naphthalene-1,4-dione
CAS Name: 2,3-dibutoxy-6-fluoronaphthalene-1,4-dione
IUPAC NAME: 2,3-dibutoxy-6-fluoronaphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-dibutoxy-6-fluoranyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C18H21FO4
MOLECULAR WEIGHT: 320.355343
SMILES: CCCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)F)OCCCC
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Product OPENEYE NAME: 6-bromo-2,3-dibutoxy-naphthalene-1,4-dione
CAS Name: 6-bromo-2,3-dibutoxynaphthalene-1,4-dione
IUPAC NAME: 6-bromo-2,3-dibutoxynaphthalene-1,4-dione
SYSTEMATIC NAME: 6-bromanyl-2,3-dibutoxy-naphthalene-1,4-dione
MOLECULAR FORMULA: C18H21BrO4
MOLECULAR WEIGHT: 381.26094
SMILES: CCCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)Br)OCCCC
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Product OPENEYE NAME: 6,7-diisopropoxy-5,8-dioxo-naphthalene-2-carbonitrile
CAS Name: 5,8-dioxo-6,7-di(propan-2-yloxy)-2-naphthalenecarbonitrile
IUPAC NAME: 5,8-dioxo-6,7-di(propan-2-yloxy)naphthalene-2-carbonitrile
SYSTEMATIC NAME: 5,8-bis(oxidanylidene)-6,7-di(propan-2-yloxy)naphthalene-2-carbonitrile
MOLECULAR FORMULA: C17H17NO4
MOLECULAR WEIGHT: 299.32118
SMILES: CC(C)OC1=C(C(=O)C2=C(C1=O)C=CC(=C2)C#N)OC(C)C
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Product OPENEYE NAME: [[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol
CAS Name: [[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol
IUPAC NAME: [[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol
SYSTEMATIC NAME: [[4-azanyl-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol
MOLECULAR FORMULA: C10H20N6O4
MOLECULAR WEIGHT: 288.3036
SMILES: COCN(CO)C1=NC(=NC(=N1)N)N(COC)COC
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Product OPENEYE NAME: methoxymethane; N2-methoxy-1,3,5-triazine-2,4,6-triamine
CAS Name: methoxymethane; N2-methoxy-1,3,5-triazine-2,4,6-triamine
IUPAC NAME: methoxymethane; 2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: methoxymethane; N2-methoxy-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C6H14N6O2
MOLECULAR WEIGHT: 202.21436
SMILES: COC.CONC1=NC(=NC(=N1)N)N
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Product OPENEYE NAME: 1-methyl-3-(2-phenylphenyl)benzene
CAS Name: 1-methyl-3-(2-phenylphenyl)benzene
IUPAC NAME: 1-methyl-3-(2-phenylphenyl)benzene
SYSTEMATIC NAME: 1-methyl-3-(2-phenylphenyl)benzene
MOLECULAR FORMULA: C19H16
MOLECULAR WEIGHT: 244.33034
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C3=CC=CC=C3
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Product OPENEYE NAME: N1,N3-bis(m-tolyl)-N1,N3,4-triphenyl-benzene-1,3-diamine
CAS Name: N1,N3-bis(3-methylphenyl)-N1,N3,4-triphenylbenzene-1,3-diamine
IUPAC NAME: 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,4-triphenylbenzene-1,3-diamine
SYSTEMATIC NAME: N1,N3-bis(3-methylphenyl)-N1,N3,4-triphenyl-benzene-1,3-diamine
MOLECULAR FORMULA: C38H32N2
MOLECULAR WEIGHT: 516.67408
SMILES: CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC(=C(C=C3)C4=CC=CC=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C
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Product OPENEYE NAME: [(E)-octadec-9-enyl] 2,4-dichlorobenzoate
CAS Name: 2,4-dichlorobenzoic acid [(E)-octadec-9-enyl] ester
IUPAC NAME: [(E)-octadec-9-enyl] 2,4-dichlorobenzoate
SYSTEMATIC NAME: [(E)-octadec-9-enyl] 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C25H38Cl2O2
MOLECULAR WEIGHT: 441.47402
SMILES: CCCCCCCC/C=C/CCCCCCCCOC(=O)C1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: (2Z,4E)-3-azido-2-cyano-5-phenyl-penta-2,4-dienoic acid
CAS Name: (2Z,4E)-3-azido-2-cyano-5-phenylpenta-2,4-dienoic acid
IUPAC NAME: (2Z,4E)-3-azido-2-cyano-5-phenylpenta-2,4-dienoic acid
SYSTEMATIC NAME: (2Z,4E)-3-azido-2-cyano-5-phenyl-penta-2,4-dienoic acid
MOLECULAR FORMULA: C12H8N4O2
MOLECULAR WEIGHT: 240.21752
SMILES: C1=CC=C(C=C1)/C=C/C(=C(\C#N)/C(=O)O)/N=[N+]=[N-]
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Product OPENEYE NAME: vinyl (E)-3-(4-azidophenyl)prop-2-enoate
CAS Name: (E)-3-(4-azidophenyl)-2-propenoic acid ethenyl ester
IUPAC NAME: ethenyl (E)-3-(4-azidophenyl)prop-2-enoate
SYSTEMATIC NAME: ethenyl (E)-3-(4-azidophenyl)prop-2-enoate
MOLECULAR FORMULA: C11H9N3O2
MOLECULAR WEIGHT: 215.20806
SMILES: C=COC(=O)/C=C/C1=CC=C(C=C1)N=[N+]=[N-]
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