Sunday, July 29, 2012

http://ChemLookup.com Compounds




CAS RN: 133-36-8
CAS Name: 2,3-dihydroxybutanedioic acid; piperazine
OPENEYE Name: 2,3-dihydroxybutanedioic acid; piperazine
IUPAC Name: 2,3-dihydroxybutanedioic acid; piperazine
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioic acid; piperazine
MOLECULAR FORMULA: C8H16N2O6
MOLECULAR WEIGHT: 236.22244
SMILES: C1CNCCN1.C(C(C(=O)O)O)(C(=O)O)O
Structure:

CAS RN: 14396-14-6
CAS Name: but-2-enedioic acid; piperazine
OPENEYE Name: but-2-enedioic acid; piperazine
IUPAC Name: but-2-enedioic acid; piperazine
SYSTEMATIC NAME: but-2-enedioic acid; piperazine
MOLECULAR FORMULA: C8H14N2O4
MOLECULAR WEIGHT: 202.20776
SMILES: C1CNCCN1.C(=CC(=O)O)C(=O)O
Structure:

CAS RN: 55726-23-3
CAS Name: 10-methyl-11H-benzo[a]carbazole-9-carboxylic acid ethyl ester
OPENEYE Name: ethyl 10-methyl-11H-benzo[a]carbazole-9-carboxylate
IUPAC Name: ethyl 10-methyl-11H-benzo[a]carbazole-9-carboxylate
SYSTEMATIC NAME: ethyl 10-methyl-11H-benzo[a]carbazole-9-carboxylate
MOLECULAR FORMULA: C20H17NO2
MOLECULAR WEIGHT: 303.35448
SMILES: CCOC(=O)C1=C(C2=C(C=C1)C3=C(N2)C4=CC=CC=C4C=C3)C
Structure:

CAS RN: 21459-27-8
CAS Name: 5-nitro-1,3-bis(phenylmethyl)pyrimidine-2,4-dione
OPENEYE Name: 1,3-dibenzyl-5-nitro-pyrimidine-2,4-dione
IUPAC Name: 1,3-dibenzyl-5-nitropyrimidine-2,4-dione
SYSTEMATIC NAME: 5-nitro-1,3-bis(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H15N3O4
MOLECULAR WEIGHT: 337.3294
SMILES: C1=CC=C(C=C1)CN2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)[N+](=O)[O-]
Structure:

CAS RN: 1586-50-1
CAS Name: 4-[2-(3-pyridinyl)ethenyl]quinoline
OPENEYE Name: 4-[2-(3-pyridyl)vinyl]quinoline
IUPAC Name: 4-(2-pyridin-3-ylethenyl)quinoline
SYSTEMATIC NAME: 4-(2-pyridin-3-ylethenyl)quinoline
MOLECULAR FORMULA: C16H12N2
MOLECULAR WEIGHT: 232.27988
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C=CC3=CN=CC=C3
Structure:

CAS RN: 150336-90-6
CAS Name: 2-(1-azepanyl)-1,3-bis[(4-chlorophenyl)methyl]-1,3,2$l^{5}-diazaphosphorinane 2-oxide
OPENEYE Name: 2-(azepan-1-yl)-1,3-bis[(4-chlorophenyl)methyl]-1,3,2$l^{5}-diazaphosphinane 2-oxide
IUPAC Name: 2-(azepan-1-yl)-1,3-bis[(4-chlorophenyl)methyl]-1,3,2$l^{5}-diazaphosphinane 2-oxide
SYSTEMATIC NAME: 2-(azepan-1-yl)-1,3-bis[(4-chlorophenyl)methyl]-1,3,2$l^{5}-diazaphosphinane 2-oxide
MOLECULAR FORMULA: C23H30Cl2N3OP
MOLECULAR WEIGHT: 466.383561
SMILES: C1CCCN(CC1)P2(=O)N(CCCN2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl
Structure:

CAS RN: 14804-61-6
CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-2-(1-pyrrolidinyl)-1,3,2$l^{5}-diazaphosphorinane 2-oxide
OPENEYE Name: 1,3-bis[(4-chlorophenyl)methyl]-2-pyrrolidin-1-yl-1,3,2$l^{5}-diazaphosphinane 2-oxide
IUPAC Name: 1,3-bis[(4-chlorophenyl)methyl]-2-pyrrolidin-1-yl-1,3,2$l^{5}-diazaphosphinane 2-oxide
SYSTEMATIC NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-pyrrolidin-1-yl-1,3,2$l^{5}-diazaphosphinane 2-oxide
MOLECULAR FORMULA: C21H26Cl2N3OP
MOLECULAR WEIGHT: 438.330401
SMILES: C1CCN(C1)P2(=O)N(CCCN2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl
Structure:

CAS RN: 5531-75-9
CAS Name: 5-methyl-1-phenyl-6H-pyrido[4,3-b]carbazole
OPENEYE Name: 5-methyl-1-phenyl-6H-pyrido[4,3-b]carbazole
IUPAC Name: 5-methyl-1-phenyl-6H-pyrido[4,3-b]carbazole
SYSTEMATIC NAME: 5-methyl-1-phenyl-6H-pyrido[4,3-b]carbazole
MOLECULAR FORMULA: C22H16N2
MOLECULAR WEIGHT: 308.37584
SMILES: CC1=C2C(=CC3=C1C=CN=C3C4=CC=CC=C4)C5=CC=CC=C5N2
Structure:

CAS RN: 56309-94-5
CAS Name: N-methyl-2-nitro-4-phenylaniline
OPENEYE Name: N-methyl-2-nitro-4-phenyl-aniline
IUPAC Name: N-methyl-2-nitro-4-phenylaniline
SYSTEMATIC NAME: N-methyl-2-nitro-4-phenyl-aniline
MOLECULAR FORMULA: C13H12N2O2
MOLECULAR WEIGHT: 228.24658
SMILES: CNC1=C(C=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-]
Structure:

CAS RN: 35966-84-8
CAS Name: 5-chloro-N-methyl-2-nitroaniline
OPENEYE Name: 5-chloro-N-methyl-2-nitro-aniline
IUPAC Name: 5-chloro-N-methyl-2-nitroaniline
SYSTEMATIC NAME: 5-chloranyl-N-methyl-2-nitro-aniline
MOLECULAR FORMULA: C7H7ClN2O2
MOLECULAR WEIGHT: 186.59568
SMILES: CNC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
Structure:

CAS RN: 4316-58-9
CAS Name: 4-bromo-N,N-bis(4-bromophenyl)aniline
OPENEYE Name: 4-bromo-N,N-bis(4-bromophenyl)aniline
IUPAC Name: 4-bromo-N,N-bis(4-bromophenyl)aniline
SYSTEMATIC NAME: 4-bromanyl-N,N-bis(4-bromophenyl)aniline
MOLECULAR FORMULA: C18H12Br3N
MOLECULAR WEIGHT: 482.00658
SMILES: C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)Br
Structure:

CAS RN: 24964-91-8
CAS Name: 4-bromo-N,N-bis(4-bromophenyl)aniline
OPENEYE Name: 4-bromo-N,N-bis(4-bromophenyl)aniline
IUPAC Name: 4-bromo-N,N-bis(4-bromophenyl)aniline
SYSTEMATIC NAME: 4-bromanyl-N,N-bis(4-bromophenyl)aniline
MOLECULAR FORMULA: C18H12Br3N
MOLECULAR WEIGHT: 482.00658
SMILES: C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)Br
Structure:

CAS RN: 16879-68-8
CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid
OPENEYE Name: 4-[methyl(p-tolylsulfonyl)amino]benzoic acid
IUPAC Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid
SYSTEMATIC NAME: 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid
MOLECULAR FORMULA: C15H15NO4S
MOLECULAR WEIGHT: 305.3489
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)O
Structure:

CAS RN: 73972-39-1
CAS Name: 2,5-bis(phenylmethyl)benzene-1,4-diol
OPENEYE Name: 2,5-dibenzylbenzene-1,4-diol
IUPAC Name: 2,5-dibenzylbenzene-1,4-diol
SYSTEMATIC NAME: 2,5-bis(phenylmethyl)benzene-1,4-diol
MOLECULAR FORMULA: C20H18O2
MOLECULAR WEIGHT: 290.35572
SMILES: C1=CC=C(C=C1)CC2=CC(=C(C=C2O)CC3=CC=CC=C3)O
Structure:

CAS RN: 63992-09-6
CAS Name: N,4-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
OPENEYE Name: N,4-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
IUPAC Name: N,4-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
SYSTEMATIC NAME: N,4-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
MOLECULAR FORMULA: C14H14N2O4S
MOLECULAR WEIGHT: 306.33696
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:

CAS RN: 5166-62-1
CAS Name: 1-(4-methoxyphenoxy)-3,3-dimethyl-2-butanone
OPENEYE Name: 1-(4-methoxyphenoxy)-3,3-dimethyl-butan-2-one
IUPAC Name: 1-(4-methoxyphenoxy)-3,3-dimethylbutan-2-one
SYSTEMATIC NAME: 1-(4-methoxyphenoxy)-3,3-dimethyl-butan-2-one
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C)(C)C(=O)COC1=CC=C(C=C1)OC
Structure:

CAS RN: 20531-93-5
CAS Name: 1,3-dimethyl-5-prop-2-enoxybenzene
OPENEYE Name: 1-allyloxy-3,5-dimethyl-benzene
IUPAC Name: 1,3-dimethyl-5-prop-2-enoxybenzene
SYSTEMATIC NAME: 1,3-dimethyl-5-prop-2-enoxy-benzene
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC1=CC(=CC(=C1)OCC=C)C
Structure:

CAS RN: 58621-54-8
CAS Name: 1-(3-prop-2-enoxyphenyl)ethanone
OPENEYE Name: 1-(3-allyloxyphenyl)ethanone
IUPAC Name: 1-(3-prop-2-enoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(3-prop-2-enoxyphenyl)ethanone
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=O)C1=CC(=CC=C1)OCC=C
Structure:

CAS RN: 65119-31-5
CAS Name: 1-(3-prop-2-enoxyphenyl)ethanone
OPENEYE Name: 1-(3-allyloxyphenyl)ethanone
IUPAC Name: 1-(3-prop-2-enoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(3-prop-2-enoxyphenyl)ethanone
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=O)C1=CC(=CC=C1)OCC=C
Structure:

CAS RN: 5407-77-2
CAS Name: 1-but-2-ynoxy-4-methoxybenzene
OPENEYE Name: 1-but-2-ynoxy-4-methoxy-benzene
IUPAC Name: 1-but-2-ynoxy-4-methoxybenzene
SYSTEMATIC NAME: 1-but-2-ynoxy-4-methoxy-benzene
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC#CCOC1=CC=C(C=C1)OC
Structure:

CAS RN: 5786-66-3
CAS Name: 1-(2-chloroprop-2-enoxy)-4-methoxybenzene
OPENEYE Name: 1-(2-chloroallyloxy)-4-methoxy-benzene
IUPAC Name: 1-(2-chloroprop-2-enoxy)-4-methoxybenzene
SYSTEMATIC NAME: 1-(2-chloranylprop-2-enoxy)-4-methoxy-benzene
MOLECULAR FORMULA: C10H11ClO2
MOLECULAR WEIGHT: 198.64614
SMILES: COC1=CC=C(C=C1)OCC(=C)Cl
Structure:

CAS RN: 13997-70-1
CAS Name: 1-chloro-4-prop-2-enoxybenzene
OPENEYE Name: 1-allyloxy-4-chloro-benzene
IUPAC Name: 1-chloro-4-prop-2-enoxybenzene
SYSTEMATIC NAME: 1-chloranyl-4-prop-2-enoxy-benzene
MOLECULAR FORMULA: C9H9ClO
MOLECULAR WEIGHT: 168.62016
SMILES: C=CCOC1=CC=C(C=C1)Cl
Structure:

CAS RN: 41388-50-5
CAS Name: 1-bromo-3-prop-2-enoxybenzene
OPENEYE Name: 1-allyloxy-3-bromo-benzene
IUPAC Name: 1-bromo-3-prop-2-enoxybenzene
SYSTEMATIC NAME: 1-bromanyl-3-prop-2-enoxy-benzene
MOLECULAR FORMULA: C9H9BrO
MOLECULAR WEIGHT: 213.07116
SMILES: C=CCOC1=CC(=CC=C1)Br
Structure:

CAS RN: 41351-30-8
CAS Name: 3,6-dimethyl-9-fluorenone
OPENEYE Name: 3,6-dimethylfluoren-9-one
IUPAC Name: 3,6-dimethylfluoren-9-one
SYSTEMATIC NAME: 3,6-dimethylfluoren-9-one
MOLECULAR FORMULA: C15H12O
MOLECULAR WEIGHT: 208.25518
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C2C=C(C=C3)C
Structure:

CAS RN: 22593-83-5
CAS Name: 1,2-bis(4-bromophenyl)hydrazine
OPENEYE Name: 1,2-bis(4-bromophenyl)hydrazine
IUPAC Name: 1,2-bis(4-bromophenyl)hydrazine
SYSTEMATIC NAME: 1,2-bis(4-bromophenyl)diazane
MOLECULAR FORMULA: C12H10Br2N2
MOLECULAR WEIGHT: 342.0292
SMILES: C1=CC(=CC=C1NNC2=CC=C(C=C2)Br)Br
Structure:

CAS RN: 72732-51-5
CAS Name: 1,2-bis(4-methylphenyl)hydrazine
OPENEYE Name: 1,2-bis(p-tolyl)hydrazine
IUPAC Name: 1,2-bis(4-methylphenyl)hydrazine
SYSTEMATIC NAME: 1,2-bis(4-methylphenyl)diazane
MOLECULAR FORMULA: C14H16N2
MOLECULAR WEIGHT: 212.29024
SMILES: CC1=CC=C(C=C1)NNC2=CC=C(C=C2)C
Structure:

CAS RN: 96632-01-8
CAS Name: (4-hydroxy-3-prop-2-enylphenyl)-phenylmethanone
OPENEYE Name: (3-allyl-4-hydroxy-phenyl)-phenyl-methanone
IUPAC Name: (4-hydroxy-3-prop-2-enylphenyl)-phenylmethanone
SYSTEMATIC NAME: (4-oxidanyl-3-prop-2-enyl-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: C=CCC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)O
Structure:

CAS RN: 5335-18-2
CAS Name: (2,5-dimethoxyphenyl)-phenylmethanone
OPENEYE Name: (2,5-dimethoxyphenyl)-phenyl-methanone
IUPAC Name: (2,5-dimethoxyphenyl)-phenylmethanone
SYSTEMATIC NAME: (2,5-dimethoxyphenyl)-phenyl-methanone
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: COC1=CC(=C(C=C1)OC)C(=O)C2=CC=CC=C2
Structure:

CAS RN: 5466-45-5
CAS Name: (3,5-dinitrophenyl)-phenylmethanone
OPENEYE Name: (3,5-dinitrophenyl)-phenyl-methanone
IUPAC Name: (3,5-dinitrophenyl)-phenylmethanone
SYSTEMATIC NAME: (3,5-dinitrophenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H8N2O5
MOLECULAR WEIGHT: 272.21302
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 20901-53-5
CAS Name: [(1S,2R)-2-nitrocyclohexyl]benzene
OPENEYE Name: [(1S,2R)-2-nitrocyclohexyl]benzene
IUPAC Name: [(1S,2R)-2-nitrocyclohexyl]benzene
SYSTEMATIC NAME: [(1S,2R)-2-nitrocyclohexyl]benzene
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C1CC[C@H]([C@@H](C1)C2=CC=CC=C2)[N+](=O)[O-]
Structure:

CAS RN: 1138-47-2
CAS Name: [(1S,2S)-2-phenylcyclopropyl]benzene
OPENEYE Name: [(1S,2S)-2-phenylcyclopropyl]benzene
IUPAC Name: [(1S,2S)-2-phenylcyclopropyl]benzene
SYSTEMATIC NAME: [(1S,2S)-2-phenylcyclopropyl]benzene
MOLECULAR FORMULA: C15H14
MOLECULAR WEIGHT: 194.27166
SMILES: C1[C@@H]([C@H]1C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 85111-80-4
CAS Name: 3,6-diamino-9-fluorenone
OPENEYE Name: 3,6-diaminofluoren-9-one
IUPAC Name: 3,6-diaminofluoren-9-one
SYSTEMATIC NAME: 3,6-bis(azanyl)fluoren-9-one
MOLECULAR FORMULA: C13H10N2O
MOLECULAR WEIGHT: 210.2313
SMILES: C1=CC2=C(C=C1N)C3=C(C2=O)C=CC(=C3)N
Structure:

CAS RN: 110508-98-0
CAS Name: 1,2-bis(4-methoxyphenyl)hydrazine
OPENEYE Name: 1,2-bis(4-methoxyphenyl)hydrazine
IUPAC Name: 1,2-bis(4-methoxyphenyl)hydrazine
SYSTEMATIC NAME: 1,2-bis(4-methoxyphenyl)diazane
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: COC1=CC=C(C=C1)NNC2=CC=C(C=C2)OC
Structure:

CAS RN: 5461-37-0
CAS Name: 1,2-bis(4-chlorophenyl)-1,2-dimethylhydrazine
OPENEYE Name: 1,2-bis(4-chlorophenyl)-1,2-dimethyl-hydrazine
IUPAC Name: 1,2-bis(4-chlorophenyl)-1,2-dimethylhydrazine
SYSTEMATIC NAME: 1,2-bis(4-chlorophenyl)-1,2-dimethyl-diazane
MOLECULAR FORMULA: C14H14Cl2N2
MOLECULAR WEIGHT: 281.18036
SMILES: CN(C1=CC=C(C=C1)Cl)N(C)C2=CC=C(C=C2)Cl
Structure:

CAS RN: 5459-49-4
CAS Name: (3,5-diaminophenyl)-phenylmethanone
OPENEYE Name: (3,5-diaminophenyl)-phenyl-methanone
IUPAC Name: (3,5-diaminophenyl)-phenylmethanone
SYSTEMATIC NAME: [3,5-bis(azanyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)N)N
Structure:

CAS RN: 54100-53-7
CAS Name: (8R,9S,13S,14S,17S)-13-methyl-3-(2-oxanyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (8R,9S,13S,14S,17S)-13-methyl-3-tetrahydropyran-2-yloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-3-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-13-methyl-3-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C23H32O3
MOLECULAR WEIGHT: 356.49838
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC5CCCCO5
Structure:

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