Friday, June 29, 2012

http://ChemLookup.com Compounds




CAS RN: 69614-04-6
CAS Name: 5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylic acid methyl ester
OPENEYE Name: methyl 5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate
IUPAC Name: methyl 5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate
SYSTEMATIC NAME: methyl 5-oxidanylidene-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate
MOLECULAR FORMULA: C8H9N3O3
MOLECULAR WEIGHT: 195.17536
SMILES: COC(=O)C1CC2=CN=CN2C(=O)N1
Structure:

CAS RN: 74536-25-7
CAS Name: 2,5-dimethyl-4-oxo-1H-pyrimidine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2,5-dimethyl-4-oxo-1H-pyrimidine-6-carboxylate
IUPAC Name: ethyl 2,5-dimethyl-4-oxo-1H-pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 2,5-dimethyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate
MOLECULAR FORMULA: C9H12N2O3
MOLECULAR WEIGHT: 196.20318
SMILES: CCOC(=O)C1=C(C(=O)N=C(N1)C)C
Structure:

CAS RN: 59886-50-9
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(dimethylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-bis(dimethylamino)-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(dimethylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-bis(dimethylamino)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C14H20N4O2
MOLECULAR WEIGHT: 276.3342
SMILES: CN(C)C1=C(C(=O)C(=C(C1=O)N2CC2)N(C)C)N3CC3
Structure:

CAS RN: 64377-80-6
CAS Name: 5-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonylamino]pentanoic acid ethyl ester
OPENEYE Name: ethyl 5-[benzyloxycarbonyl-[benzyloxycarbonyl(methyl)amino]amino]pentanoate
IUPAC Name: ethyl 5-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonylamino]pentanoate
SYSTEMATIC NAME: ethyl 5-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonyl-amino]pentanoate
MOLECULAR FORMULA: C24H30N2O6
MOLECULAR WEIGHT: 442.5048
SMILES: CCOC(=O)CCCCN(C(=O)OCC1=CC=CC=C1)N(C)C(=O)OCC2=CC=CC=C2
Structure:

CAS RN: 64604-60-0
CAS Name: 4-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonylamino]butanoic acid ethyl ester
OPENEYE Name: ethyl 4-[benzyloxycarbonyl-[benzyloxycarbonyl(methyl)amino]amino]butanoate
IUPAC Name: ethyl 4-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonylamino]butanoate
SYSTEMATIC NAME: ethyl 4-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonyl-amino]butanoate
MOLECULAR FORMULA: C23H28N2O6
MOLECULAR WEIGHT: 428.47822
SMILES: CCOC(=O)CCCN(C(=O)OCC1=CC=CC=C1)N(C)C(=O)OCC2=CC=CC=C2
Structure:

CAS RN: 79692-31-2
CAS Name: N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-(1-oxohexadecyl)amino]but-2-enyl]hexadecanamide
OPENEYE Name: N-[4-(diethylamino)-1-methyl-butyl]-N-[4-[[4-(diethylamino)-1-methyl-butyl]-hexadecanoyl-amino]but-2-enyl]hexadecanamide
IUPAC Name: N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]but-2-enyl]hexadecanamide
SYSTEMATIC NAME: N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-hexadecanoyl-amino]but-2-enyl]hexadecanamide
MOLECULAR FORMULA: C54H108N4O2
MOLECULAR WEIGHT: 845.46092
SMILES: CCCCCCCCCCCCCCCC(=O)N(CC=CCN(C(C)CCCN(CC)CC)C(=O)CCCCCCCCCCCCCCC)C(C)CCCN(CC)CC
Structure:

CAS RN: 80592-68-3
CAS Name: N'-[(3,4-dimethoxyphenyl)-oxomethyl]-3,4-dimethoxybenzohydrazide
OPENEYE Name: N'-(3,4-dimethoxybenzoyl)-3,4-dimethoxy-benzohydrazide
IUPAC Name: N'-(3,4-dimethoxybenzoyl)-3,4-dimethoxybenzohydrazide
SYSTEMATIC NAME: N'-(3,4-dimethoxyphenyl)carbonyl-3,4-dimethoxy-benzohydrazide
MOLECULAR FORMULA: C18H20N2O6
MOLECULAR WEIGHT: 360.3612
SMILES: COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)OC)OC)OC
Structure:

CAS RN: 54321-60-7
CAS Name: N-[(1,1-dimethyl-2-naphthalenylidene)amino]-2,4-dinitroaniline
OPENEYE Name: N-[(1,1-dimethyl-2-naphthylidene)amino]-2,4-dinitro-aniline
IUPAC Name: N-[(1,1-dimethylnaphthalen-2-ylidene)amino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(1,1-dimethylnaphthalen-2-ylidene)amino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C18H16N4O4
MOLECULAR WEIGHT: 352.34404
SMILES: CC1(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=CC3=CC=CC=C31)C
Structure:

CAS RN: 59910-30-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H19ClN2O3
MOLECULAR WEIGHT: 394.85086
SMILES: CCC1C2=C(COC1=O)C(=O)N3C(C4=C(C5=CC=CC=C5N=C4C3=C2)Cl)CC
Structure:

CAS RN: 57182-93-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H17ClN2O3
MOLECULAR WEIGHT: 368.81358
SMILES: CCC1C(OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)Cl)O
Structure:

CAS RN: 14209-08-6
CAS Name: 1,2-dibromo-1,2-dihydroacenaphthylene
OPENEYE Name: 1,2-dibromo-1,2-dihydroacenaphthylene
IUPAC Name: 1,2-dibromo-1,2-dihydroacenaphthylene
SYSTEMATIC NAME: 1,2-bis(bromanyl)-1,2-dihydroacenaphthylene
MOLECULAR FORMULA: C12H8Br2
MOLECULAR WEIGHT: 311.99992
SMILES: C1=CC2=C3C(=C1)C(C(C3=CC=C2)Br)Br
Structure:

CAS RN: 27151-65-1
CAS Name: 5-methoxy-3-methyl-5-oxopentanoic acid
OPENEYE Name: 5-methoxy-3-methyl-5-oxo-pentanoic acid
IUPAC Name: 5-methoxy-3-methyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-methoxy-3-methyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC(CC(=O)O)CC(=O)OC
Structure:

CAS RN: 25090-39-5
CAS Name: 3-methoxycarbonyl-1-cyclohexanecarboxylic acid
OPENEYE Name: 3-methoxycarbonylcyclohexanecarboxylic acid
IUPAC Name: 3-methoxycarbonylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 3-methoxycarbonylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: COC(=O)C1CCCC(C1)C(=O)O
Structure:

CAS RN: 64611-67-2
CAS Name: 2-hydroxy-1-(4-nitrophenyl)ethanone
OPENEYE Name: 2-hydroxy-1-(4-nitrophenyl)ethanone
IUPAC Name: 2-hydroxy-1-(4-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(4-nitrophenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: C1=CC(=CC=C1C(=O)CO)[N+](=O)[O-]
Structure:

CAS RN: 4079-54-3
CAS Name: 2-hydroxy-1-(4-methylphenyl)ethanone
OPENEYE Name: 2-hydroxy-1-(p-tolyl)ethanone
IUPAC Name: 2-hydroxy-1-(4-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-methylphenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=CC=C(C=C1)C(=O)CO
Structure:

CAS RN: 20599-01-3
CAS Name: 2,2-bis(bromomethyl)-1,3-dioxolane
OPENEYE Name: 2,2-bis(bromomethyl)-1,3-dioxolane
IUPAC Name: 2,2-bis(bromomethyl)-1,3-dioxolane
SYSTEMATIC NAME: 2,2-bis(bromomethyl)-1,3-dioxolane
MOLECULAR FORMULA: C5H8Br2O2
MOLECULAR WEIGHT: 259.92382
SMILES: C1COC(O1)(CBr)CBr
Structure:

CAS RN: 17202-83-4
CAS Name: 4-nitrobenzoic acid (3-methylenecyclobutyl) ester
OPENEYE Name: (3-methylenecyclobutyl) 4-nitrobenzoate
IUPAC Name: (3-methylidenecyclobutyl) 4-nitrobenzoate
SYSTEMATIC NAME: (3-methylidenecyclobutyl) 4-nitrobenzoate
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: C=C1CC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:

CAS RN: 13668-59-2
CAS Name: 1-cyclopent-2-enylmethanol
OPENEYE Name: cyclopent-2-en-1-ylmethanol
IUPAC Name: cyclopent-2-en-1-ylmethanol
SYSTEMATIC NAME: cyclopent-2-en-1-ylmethanol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: C1CC(C=C1)CO
Structure:

CAS RN: 4845-04-9
CAS Name: 1-cyclohexenylmethanol
OPENEYE Name: cyclohexen-1-ylmethanol
IUPAC Name: cyclohexen-1-ylmethanol
SYSTEMATIC NAME: cyclohexen-1-ylmethanol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C1CCC(=CC1)CO
Structure:

CAS RN: 5209-38-1
CAS Name: 1-cyclohexenylmethanol
OPENEYE Name: cyclohexen-1-ylmethanol
IUPAC Name: cyclohexen-1-ylmethanol
SYSTEMATIC NAME: cyclohexen-1-ylmethanol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C1CCC(=CC1)CO
Structure:

CAS RN: 21816-20-6
CAS Name: 2-(1-cyclobutenyl)ethanol
OPENEYE Name: 2-(cyclobuten-1-yl)ethanol
IUPAC Name: 2-(cyclobuten-1-yl)ethanol
SYSTEMATIC NAME: 2-(cyclobuten-1-yl)ethanol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: C1CC(=C1)CCO
Structure:

CAS RN: 61826-40-2
CAS Name: (2-phenylcyclopropyl)methanol
OPENEYE Name: (2-phenylcyclopropyl)methanol
IUPAC Name: (2-phenylcyclopropyl)methanol
SYSTEMATIC NAME: (2-phenylcyclopropyl)methanol
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: C1C(C1C2=CC=CC=C2)CO
Structure:

CAS RN: 54889-83-7
CAS Name: 1,1-diphenylpropylbenzene
OPENEYE Name: 1,1-diphenylpropylbenzene
IUPAC Name: 1,1-diphenylpropylbenzene
SYSTEMATIC NAME: 1,1-diphenylpropylbenzene
MOLECULAR FORMULA: C21H20
MOLECULAR WEIGHT: 272.3835
SMILES: CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 30336-09-5
CAS Name: 5-hydroxy-3,4,5-triphenyl-2-furanone
OPENEYE Name: 5-hydroxy-3,4,5-triphenyl-furan-2-one
IUPAC Name: 5-hydroxy-3,4,5-triphenylfuran-2-one
SYSTEMATIC NAME: 5-oxidanyl-3,4,5-triphenyl-furan-2-one
MOLECULAR FORMULA: C22H16O3
MOLECULAR WEIGHT: 328.36064
SMILES: C1=CC=C(C=C1)C2=C(C(OC2=O)(C3=CC=CC=C3)O)C4=CC=CC=C4
Structure:

CAS RN: 23073-09-8
CAS Name: 2,4-bis(4-methoxyphenyl)-4-oxobutanoic acid
OPENEYE Name: 2,4-bis(4-methoxyphenyl)-4-oxo-butanoic acid
IUPAC Name: 2,4-bis(4-methoxyphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 2,4-bis(4-methoxyphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)C(=O)O
Structure:

CAS RN: 23073-04-3
CAS Name: 2,4-bis(4-methoxyphenyl)-4-oxobutanenitrile
OPENEYE Name: 2,4-bis(4-methoxyphenyl)-4-oxo-butanenitrile
IUPAC Name: 2,4-bis(4-methoxyphenyl)-4-oxobutanenitrile
SYSTEMATIC NAME: 2,4-bis(4-methoxyphenyl)-4-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)C#N
Structure:

CAS RN: 32892-18-5
CAS Name: 2,3-diphenyl-2-propenoic acid methyl ester
OPENEYE Name: methyl 2,3-diphenylprop-2-enoate
IUPAC Name: methyl 2,3-diphenylprop-2-enoate
SYSTEMATIC NAME: methyl 2,3-diphenylprop-2-enoate
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: COC(=O)C(=CC1=CC=CC=C1)C2=CC=CC=C2
Structure:

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