Friday, June 29, 2012

http://ChemLookup.com Compounds




CAS RN: 59426-06-1
CAS Name: N-(2-chlorophenyl)-1-[4-[(2-chlorophenyl)iminomethyl]phenyl]methanimine
OPENEYE Name: N-(2-chlorophenyl)-1-[4-[(2-chlorophenyl)iminomethyl]phenyl]methanimine
IUPAC Name: N-(2-chlorophenyl)-1-[4-[(2-chlorophenyl)iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-(2-chlorophenyl)-1-[4-[(2-chlorophenyl)iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C20H14Cl2N2
MOLECULAR WEIGHT: 353.24456
SMILES: C1=CC=C(C(=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC=C3Cl)Cl
Structure:

CAS RN: 5918-69-4
CAS Name: N-(4-methylphenyl)-1-thiophen-2-ylmethanimine
OPENEYE Name: N-(p-tolyl)-1-(2-thienyl)methanimine
IUPAC Name: N-(4-methylphenyl)-1-thiophen-2-ylmethanimine
SYSTEMATIC NAME: N-(4-methylphenyl)-1-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C12H11NS
MOLECULAR WEIGHT: 201.28744
SMILES: CC1=CC=C(C=C1)N=CC2=CC=CS2
Structure:

CAS RN: 55726-42-6
CAS Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]dodecanamide
OPENEYE Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]dodecanamide
IUPAC Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]dodecanamide
SYSTEMATIC NAME: N-[1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]dodecanamide
MOLECULAR FORMULA: C21H35N3O6
MOLECULAR WEIGHT: 425.5191
SMILES: CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
Structure:

CAS RN: 55726-45-9
CAS Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]hexadecanamide
OPENEYE Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]hexadecanamide
IUPAC Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexadecanamide
SYSTEMATIC NAME: N-[1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]hexadecanamide
MOLECULAR FORMULA: C25H43N3O6
MOLECULAR WEIGHT: 481.62542
SMILES: CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
Structure:

CAS RN: 28957-04-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: CC1(CC[C@@H]([C@@]23[C@@H]1[C@@H](C(C45[C@H]2CCC([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C
Structure:

CAS RN: 65563-75-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CC1CCCC2(C13C(O3)C4C(C2)OC(=O)C4=C)C
Structure:

CAS RN: 17159-79-4
CAS Name: 4-oxo-1-cyclohexanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxocyclohexanecarboxylate
IUPAC Name: ethyl 4-oxocyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidenecyclohexane-1-carboxylate
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: CCOC(=O)C1CCC(=O)CC1
Structure:

CAS RN: 85152-95-0
CAS Name: 2-(5-oxo-2-oxolanylidene)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(5-oxotetrahydrofuran-2-ylidene)propanedioate
IUPAC Name: diethyl 2-(5-oxooxolan-2-ylidene)propanedioate
SYSTEMATIC NAME: diethyl 2-(5-oxidanylideneoxolan-2-ylidene)propanedioate
MOLECULAR FORMULA: C11H14O6
MOLECULAR WEIGHT: 242.22526
SMILES: CCOC(=O)C(=C1CCC(=O)O1)C(=O)OCC
Structure:

CAS RN: 1424-35-7
CAS Name: 4,5-dibromo-5-methyl-2-oxolanone
OPENEYE Name: 4,5-dibromo-5-methyl-tetrahydrofuran-2-one
IUPAC Name: 4,5-dibromo-5-methyloxolan-2-one
SYSTEMATIC NAME: 4,5-bis(bromanyl)-5-methyl-oxolan-2-one
MOLECULAR FORMULA: C5H6Br2O2
MOLECULAR WEIGHT: 257.90794
SMILES: CC1(C(CC(=O)O1)Br)Br
Structure:

CAS RN: 54602-73-2
CAS Name: 17-(2-aminoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: 17-(2-aminoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: 17-(2-aminoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: 17-(2-azanylethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H31NO2
MOLECULAR WEIGHT: 329.47634
SMILES: CC12CCC3C(C1CCC2(CCN)O)CCC4=C3C=CC(=C4)OC
Structure:

CAS RN: 16397-00-5
CAS Name: 4-methylbenzenesulfonic acid 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl ester
OPENEYE Name: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
IUPAC Name: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-(3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C28H36O5S
MOLECULAR WEIGHT: 484.64744
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCC3C2(CCC4C3CCC5=C4C=CC(=C5)OC)C)O
Structure:

CAS RN: 56267-47-1
CAS Name: N-(2-furanyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-furyl)carbamate
IUPAC Name: tert-butyl N-(furan-2-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(furan-2-yl)carbamate
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: CC(C)(C)OC(=O)NC1=CC=CO1
Structure:

CAS RN: 56267-48-2
CAS Name: N-(2-furanyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-furyl)carbamate
IUPAC Name: tert-butyl N-(furan-2-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(furan-2-yl)carbamate
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: CC(C)(C)OC(=O)NC1=CC=CO1
Structure:

CAS RN: 30739-23-2
CAS Name: 2-(2-furanyl)isoindole-1,3-dione
OPENEYE Name: 2-(2-furyl)isoindoline-1,3-dione
IUPAC Name: 2-(furan-2-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(furan-2-yl)isoindole-1,3-dione
MOLECULAR FORMULA: C12H7NO3
MOLECULAR WEIGHT: 213.18888
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CO3
Structure:

CAS RN: 66889-57-4
CAS Name: 2-chloro-N-(4-oxo-7-pyrrolo[1,2-a]indolyl)acetamide
OPENEYE Name: 2-chloro-N-(4-oxopyrrolo[1,2-a]indol-7-yl)acetamide
IUPAC Name: 2-chloro-N-(4-oxopyrrolo[1,2-a]indol-7-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(4-oxidanylidenepyrrolo[1,2-a]indol-7-yl)ethanamide
MOLECULAR FORMULA: C13H9ClN2O2
MOLECULAR WEIGHT: 260.67576
SMILES: C1=CN2C(=C1)C(=O)C3=C2C=C(C=C3)NC(=O)CCl
Structure:

CAS RN: 66889-51-8
CAS Name: N-acetyl-N-(4-oxo-7-pyrrolo[1,2-a]indolyl)acetamide
OPENEYE Name: N-acetyl-N-(4-oxopyrrolo[1,2-a]indol-7-yl)acetamide
IUPAC Name: N-acetyl-N-(4-oxopyrrolo[1,2-a]indol-7-yl)acetamide
SYSTEMATIC NAME: N-ethanoyl-N-(4-oxidanylidenepyrrolo[1,2-a]indol-7-yl)ethanamide
MOLECULAR FORMULA: C15H12N2O3
MOLECULAR WEIGHT: 268.26738
SMILES: CC(=O)N(C1=CC2=C(C=C1)C(=O)C3=CC=CN32)C(=O)C
Structure:

CAS RN: 66940-04-3
CAS Name: 7-nitro-4-pyrrolo[1,2-a]indolone
OPENEYE Name: 7-nitropyrrolo[1,2-a]indol-4-one
IUPAC Name: 7-nitropyrrolo[1,2-a]indol-4-one
SYSTEMATIC NAME: 7-nitropyrrolo[1,2-a]indol-4-one
MOLECULAR FORMULA: C11H6N2O3
MOLECULAR WEIGHT: 214.17694
SMILES: C1=CN2C(=C1)C(=O)C3=C2C=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 66940-03-2
CAS Name: 4-nitro-2-(1-pyrrolyl)benzoic acid
OPENEYE Name: 4-nitro-2-pyrrol-1-yl-benzoic acid
IUPAC Name: 4-nitro-2-pyrrol-1-ylbenzoic acid
SYSTEMATIC NAME: 4-nitro-2-pyrrol-1-yl-benzoic acid
MOLECULAR FORMULA: C11H8N2O4
MOLECULAR WEIGHT: 232.19222
SMILES: C1=CN(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O
Structure:

CAS RN: 23668-03-3
CAS Name: 3-acetyl-5-bromo-2-hydroxy-6-methyl-4-pyranone
OPENEYE Name: 3-acetyl-5-bromo-2-hydroxy-6-methyl-pyran-4-one
IUPAC Name: 3-acetyl-5-bromo-2-hydroxy-6-methylpyran-4-one
SYSTEMATIC NAME: 3-bromanyl-5-ethanoyl-2-methyl-6-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C8H7BrO4
MOLECULAR WEIGHT: 247.04278
SMILES: CC1=C(C(=O)C(=C(O1)O)C(=O)C)Br
Structure:

CAS RN: 62175-77-3
CAS Name: 6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-acetonyl-1H-pyrimidine-2,4-dione
IUPAC Name: 6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-(2-oxidanylidenepropyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: CC(=O)CC1=CC(=O)NC(=O)N1
Structure:

CAS RN: 5209-53-0
CAS Name: 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-(phenylthio)-4H-dibenzofuran-3-one
OPENEYE Name: 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-phenylsulfanyl-4H-dibenzofuran-3-one
IUPAC Name: 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-phenylsulfanyl-4H-dibenzofuran-3-one
SYSTEMATIC NAME: 2,6-diethanoyl-8,9b-dimethyl-1,7,9-tris(oxidanyl)-4a-phenylsulfanyl-4H-dibenzofuran-3-one
MOLECULAR FORMULA: C24H22O7S
MOLECULAR WEIGHT: 454.49228
SMILES: CC1=C(C(=C2C(=C1O)C3(C(=C(C(=O)CC3(O2)SC4=CC=CC=C4)C(=O)C)O)C)C(=O)C)O
Structure:

CAS RN: 59886-44-1
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(1-pyrrolidinyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-dipyrrolidin-1-yl-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-dipyrrolidin-1-yl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H24N4O2
MOLECULAR WEIGHT: 328.40876
SMILES: C1CCN(C1)C2=C(C(=O)C(=C(C2=O)N3CC3)N4CCCC4)N5CC5
Structure:

CAS RN: 32986-79-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H28O5
MOLECULAR WEIGHT: 420.49752
SMILES: CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=C5C=CC(OC5=C4)(C)C)OC)O)C
Structure:

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