Thursday, July 26, 2012

http://ChemLookup.com Compounds




CAS RN: 20013-84-7
CAS Name: 1,2,4,5-tetrabromo-1,5-diphenyl-3-pentanone
OPENEYE Name: 1,2,4,5-tetrabromo-1,5-diphenyl-pentan-3-one
IUPAC Name: 1,2,4,5-tetrabromo-1,5-diphenylpentan-3-one
SYSTEMATIC NAME: 1,2,4,5-tetrakis(bromanyl)-1,5-diphenyl-pentan-3-one
MOLECULAR FORMULA: C17H14Br4O
MOLECULAR WEIGHT: 553.90846
SMILES: C1=CC=C(C=C1)C(C(C(=O)C(C(C2=CC=CC=C2)Br)Br)Br)Br
Structure:

CAS RN: 80997-86-0
CAS Name: 1,2,3-triphenyl-1-cycloprop-2-enecarbonitrile
OPENEYE Name: 1,2,3-triphenylcycloprop-2-ene-1-carbonitrile
IUPAC Name: 1,2,3-triphenylcycloprop-2-ene-1-carbonitrile
SYSTEMATIC NAME: 1,2,3-triphenylcycloprop-2-ene-1-carbonitrile
MOLECULAR FORMULA: C22H15N
MOLECULAR WEIGHT: 293.3612
SMILES: C1=CC=C(C=C1)C2=C(C2(C#N)C3=CC=CC=C3)C4=CC=CC=C4
Structure:

CAS RN: 17513-09-6
CAS Name: (3-benzoyl-5-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-phenylmethanone
OPENEYE Name: (3-benzoyl-5-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-phenyl-methanone
IUPAC Name: (3-benzoyl-5-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-phenylmethanone
SYSTEMATIC NAME: phenyl-[5-phenyl-3-(phenylcarbonyl)-4,5-dihydro-1H-pyrazol-4-yl]methanone
MOLECULAR FORMULA: C23H18N2O2
MOLECULAR WEIGHT: 354.40122
SMILES: C1=CC=C(C=C1)C2C(C(=NN2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
Structure:

CAS RN: 25656-56-8
CAS Name: furo[3,4-f]isobenzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
OPENEYE Name: furo[3,4-f]isobenzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC Name: furo[3,4-f][2]benzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: furo[3,4-f][2]benzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
MOLECULAR FORMULA: C25H12N2O8
MOLECULAR WEIGHT: 468.37138
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O
Structure:

CAS RN: 22043-24-9
CAS Name: 1',3'-dimethylspiro[1H-indole-3,8'-7,9-dihydropurine]-2,2',6'-trione
OPENEYE Name: 1,3-dimethylspiro[7,9-dihydropurine-8,3'-indoline]-2,2',6-trione
IUPAC Name: 1',3'-dimethylspiro[1H-indole-3,8'-7,9-dihydropurine]-2,2',6'-trione
SYSTEMATIC NAME: 1',3'-dimethylspiro[1H-indole-3,8'-7,9-dihydropurine]-2,2',6'-trione
MOLECULAR FORMULA: C14H13N5O3
MOLECULAR WEIGHT: 299.28472
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC3(N2)C4=CC=CC=C4NC3=O
Structure:

CAS RN: 69085-39-8
CAS Name: 4-(4-methylanilino)naphthalene-1,2-dione
OPENEYE Name: 4-(4-methylanilino)naphthalene-1,2-dione
IUPAC Name: 4-(4-methylanilino)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-[(4-methylphenyl)amino]naphthalene-1,2-dione
MOLECULAR FORMULA: C17H13NO2
MOLECULAR WEIGHT: 263.29062
SMILES: CC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32
Structure:

CAS RN: 75140-05-5
CAS Name: 4-(4-nitroanilino)naphthalene-1,2-dione
OPENEYE Name: 4-(4-nitroanilino)naphthalene-1,2-dione
IUPAC Name: 4-(4-nitroanilino)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-[(4-nitrophenyl)amino]naphthalene-1,2-dione
MOLECULAR FORMULA: C16H10N2O4
MOLECULAR WEIGHT: 294.2616
SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 27870-38-8
CAS Name: 4-(3-methylanilino)naphthalene-1,2-dione
OPENEYE Name: 4-(3-methylanilino)naphthalene-1,2-dione
IUPAC Name: 4-(3-methylanilino)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-[(3-methylphenyl)amino]naphthalene-1,2-dione
MOLECULAR FORMULA: C17H13NO2
MOLECULAR WEIGHT: 263.29062
SMILES: CC1=CC(=CC=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32
Structure:

CAS RN: 5161-49-9
CAS Name: 2-ethoxy-4-phenylimino-1-naphthalenone
OPENEYE Name: 2-ethoxy-4-phenylimino-naphthalen-1-one
IUPAC Name: 2-ethoxy-4-phenyliminonaphthalen-1-one
SYSTEMATIC NAME: 2-ethoxy-4-phenylimino-naphthalen-1-one
MOLECULAR FORMULA: C18H15NO2
MOLECULAR WEIGHT: 277.3172
SMILES: CCOC1=CC(=NC2=CC=CC=C2)C3=CC=CC=C3C1=O
Structure:

CAS RN: 20352-46-9
CAS Name: 5-[[(4-chlorophenyl)methylideneamino]methyl]-2-methyl-4-pyrimidinamine
OPENEYE Name: 5-[[(4-chlorophenyl)methyleneamino]methyl]-2-methyl-pyrimidin-4-amine
IUPAC Name: 5-[[(4-chlorophenyl)methylideneamino]methyl]-2-methylpyrimidin-4-amine
SYSTEMATIC NAME: 5-[[(4-chlorophenyl)methylideneamino]methyl]-2-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C13H13ClN4
MOLECULAR WEIGHT: 260.72212
SMILES: CC1=NC=C(C(=N1)N)CN=CC2=CC=C(C=C2)Cl
Structure:

CAS RN: 20352-38-9
CAS Name: 2-methyl-7-(4-nitrophenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine
OPENEYE Name: 2-methyl-7-(4-nitrophenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine
IUPAC Name: 2-methyl-7-(4-nitrophenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine
SYSTEMATIC NAME: 2-methyl-7-(4-nitrophenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine
MOLECULAR FORMULA: C13H13N5O2
MOLECULAR WEIGHT: 271.27462
SMILES: CC1=NC=C2CNC(NC2=N1)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 75993-91-8
CAS Name: 2-methoxy-4-phenylimino-1-naphthalenone
OPENEYE Name: 2-methoxy-4-phenylimino-naphthalen-1-one
IUPAC Name: 2-methoxy-4-phenyliminonaphthalen-1-one
SYSTEMATIC NAME: 2-methoxy-4-phenylimino-naphthalen-1-one
MOLECULAR FORMULA: C17H13NO2
MOLECULAR WEIGHT: 263.29062
SMILES: COC1=CC(=NC2=CC=CC=C2)C3=CC=CC=C3C1=O
Structure:

CAS RN: 4094-39-7
CAS Name: N-[4-(4-methylphenyl)sulfonylphenyl]acetamide
OPENEYE Name: N-[4-(p-tolylsulfonyl)phenyl]acetamide
IUPAC Name: N-[4-(4-methylphenyl)sulfonylphenyl]acetamide
SYSTEMATIC NAME: N-[4-(4-methylphenyl)sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C15H15NO3S
MOLECULAR WEIGHT: 289.3495
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C
Structure:

CAS RN: 37752-28-6
CAS Name: 1-(1-cyclopentenyl)-3-methylbenzene
OPENEYE Name: 1-(cyclopenten-1-yl)-3-methyl-benzene
IUPAC Name: 1-(cyclopenten-1-yl)-3-methylbenzene
SYSTEMATIC NAME: 1-(cyclopenten-1-yl)-3-methyl-benzene
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: CC1=CC=CC(=C1)C2=CCCC2
Structure:

CAS RN: 7146-55-6
CAS Name: 1-(1-cyclopentenyl)-4-methoxybenzene
OPENEYE Name: 1-(cyclopenten-1-yl)-4-methoxy-benzene
IUPAC Name: 1-(cyclopenten-1-yl)-4-methoxybenzene
SYSTEMATIC NAME: 1-(cyclopenten-1-yl)-4-methoxy-benzene
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: COC1=CC=C(C=C1)C2=CCCC2
Structure:

CAS RN: 36967-94-9
CAS Name: 1-(1-cyclopentenyl)-3-methoxybenzene
OPENEYE Name: 1-(cyclopenten-1-yl)-3-methoxy-benzene
IUPAC Name: 1-(cyclopenten-1-yl)-3-methoxybenzene
SYSTEMATIC NAME: 1-(cyclopenten-1-yl)-3-methoxy-benzene
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: COC1=CC=CC(=C1)C2=CCCC2
Structure:

CAS RN: 51996-59-9
CAS Name: 1,2,4,5-tetrahydro-3-benzothiepin-5-ol
OPENEYE Name: 1,2,4,5-tetrahydro-3-benzothiepin-5-ol
IUPAC Name: 1,2,4,5-tetrahydro-3-benzothiepin-5-ol
SYSTEMATIC NAME: 1,2,4,5-tetrahydro-3-benzothiepin-5-ol
MOLECULAR FORMULA: C10H12OS
MOLECULAR WEIGHT: 180.26668
SMILES: C1CSCC(C2=CC=CC=C21)O
Structure:

CAS RN: 3146-20-1
CAS Name: 1-(2,4-dinitrophenyl)-4-hydroxy-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(2,4-dinitrophenyl)-4-hydroxy-pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(2,4-dinitrophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(2,4-dinitrophenyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H11N3O7
MOLECULAR WEIGHT: 297.22094
SMILES: C1C(CN(C1C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O
Structure:

CAS RN: 10524-26-2
CAS Name: N-(5-benzamido-3-ethyl-3-nitropentyl)benzamide
OPENEYE Name: N-(5-benzamido-3-ethyl-3-nitro-pentyl)benzamide
IUPAC Name: N-(5-benzamido-3-ethyl-3-nitropentyl)benzamide
SYSTEMATIC NAME: N-(5-benzamido-3-ethyl-3-nitro-pentyl)benzamide
MOLECULAR FORMULA: C21H25N3O4
MOLECULAR WEIGHT: 383.4409
SMILES: CCC(CCNC(=O)C1=CC=CC=C1)(CCNC(=O)C2=CC=CC=C2)[N+](=O)[O-]
Structure:

CAS RN: 5044-39-3
CAS Name: 1-(4-bromophenyl)pyrrole
OPENEYE Name: 1-(4-bromophenyl)pyrrole
IUPAC Name: 1-(4-bromophenyl)pyrrole
SYSTEMATIC NAME: 1-(4-bromophenyl)pyrrole
MOLECULAR FORMULA: C10H8BrN
MOLECULAR WEIGHT: 222.08122
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)Br
Structure:

CAS RN: 50790-29-9
CAS Name: 1-(4-bromophenyl)pyrrole
OPENEYE Name: 1-(4-bromophenyl)pyrrole
IUPAC Name: 1-(4-bromophenyl)pyrrole
SYSTEMATIC NAME: 1-(4-bromophenyl)pyrrole
MOLECULAR FORMULA: C10H8BrN
MOLECULAR WEIGHT: 222.08122
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)Br
Structure:

CAS RN: 4310-42-3
CAS Name: 1-(3-nitrophenyl)pyrrole
OPENEYE Name: 1-(3-nitrophenyl)pyrrole
IUPAC Name: 1-(3-nitrophenyl)pyrrole
SYSTEMATIC NAME: 1-(3-nitrophenyl)pyrrole
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CN(C=C1)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:

CAS RN: 94054-40-7
CAS Name: 1-[(4-methylphenyl)methyl]pyrrole
OPENEYE Name: 1-(p-tolylmethyl)pyrrole
IUPAC Name: 1-[(4-methylphenyl)methyl]pyrrole
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]pyrrole
MOLECULAR FORMULA: C12H13N
MOLECULAR WEIGHT: 171.23832
SMILES: CC1=CC=C(C=C1)CN2C=CC=C2
Structure:

CAS RN: 4533-42-0
CAS Name: 1-(4-nitrophenyl)pyrrole
OPENEYE Name: 1-(4-nitrophenyl)pyrrole
IUPAC Name: 1-(4-nitrophenyl)pyrrole
SYSTEMATIC NAME: 1-(4-nitrophenyl)pyrrole
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:

CAS RN: 46258-62-2
CAS Name: 1-(4-nitrophenyl)pyrrole
OPENEYE Name: 1-(4-nitrophenyl)pyrrole
IUPAC Name: 1-(4-nitrophenyl)pyrrole
SYSTEMATIC NAME: 1-(4-nitrophenyl)pyrrole
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:

CAS RN: 92636-36-7
CAS Name: 1-(4-iodophenyl)pyrrole
OPENEYE Name: 1-(4-iodophenyl)pyrrole
IUPAC Name: 1-(4-iodophenyl)pyrrole
SYSTEMATIC NAME: 1-(4-iodophenyl)pyrrole
MOLECULAR FORMULA: C10H8IN
MOLECULAR WEIGHT: 269.08169
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)I
Structure:

CAS RN: 93460-77-6
CAS Name: 1-(4-iodophenyl)pyrrole
OPENEYE Name: 1-(4-iodophenyl)pyrrole
IUPAC Name: 1-(4-iodophenyl)pyrrole
SYSTEMATIC NAME: 1-(4-iodophenyl)pyrrole
MOLECULAR FORMULA: C10H8IN
MOLECULAR WEIGHT: 269.08169
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)I
Structure:

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