Friday, June 29, 2012

http://ChemLookup.com Compounds




CAS RN: 66974-99-0
CAS Name: N-(2,6-difluorophenyl)azo-N-methylmethanamine
OPENEYE Name: N-(2,6-difluorophenyl)azo-N-methyl-methanamine
IUPAC Name: N-[(2,6-difluorophenyl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[[2,6-bis(fluoranyl)phenyl]diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C8H9F2N3
MOLECULAR WEIGHT: 185.173966
SMILES: CN(C)N=NC1=C(C=CC=C1F)F
Structure:

CAS RN: 66678-51-1
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]imidazole-4,5-dicarboxamide
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4,5-dicarboxamide
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxamide
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazole-4,5-dicarboxamide
MOLECULAR FORMULA: C10H14N4O6
MOLECULAR WEIGHT: 286.24136
SMILES: C1=NC(=C(N1C2C(C(C(O2)CO)O)O)C(=O)N)C(=O)N
Structure:

CAS RN: 69465-42-5
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]imidazole-4,5-dicarboxamide
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4,5-dicarboxamide
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxamide
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazole-4,5-dicarboxamide
MOLECULAR FORMULA: C10H14N4O6
MOLECULAR WEIGHT: 286.24136
SMILES: C1=NC(=C(N1C2C(C(C(O2)CO)O)O)C(=O)N)C(=O)N
Structure:

CAS RN: 39499-66-6
CAS Name: 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
IUPAC Name: 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: COC1=C(C=C(C=C1)C2=NNC(=O)CC2)OC
Structure:

CAS RN: 57595-66-1
CAS Name: 7,8-dimethoxy-4,5-dihydro-1H-benzo[g]indazole
OPENEYE Name: 7,8-dimethoxy-4,5-dihydro-1H-benzo[g]indazole
IUPAC Name: 7,8-dimethoxy-4,5-dihydro-1H-benzo[g]indazole
SYSTEMATIC NAME: 7,8-dimethoxy-4,5-dihydro-1H-benzo[g]indazole
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: COC1=C(C=C2C(=C1)CCC3=C2NN=C3)OC
Structure:

CAS RN: 57595-88-7
CAS Name: 7,8-dimethoxy-N-prop-2-enyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
OPENEYE Name: N-allyl-7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
IUPAC Name: 7,8-dimethoxy-N-prop-2-enyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SYSTEMATIC NAME: 7,8-dimethoxy-N-prop-2-enyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: COC1=C(C=C2C(=C1)CCC3=C2N=C(S3)NCC=C)OC
Structure:

CAS RN: 57595-87-6
CAS Name: 7,8-dimethoxy-N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
OPENEYE Name: 7,8-dimethoxy-N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
IUPAC Name: 7,8-dimethoxy-N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SYSTEMATIC NAME: 7,8-dimethoxy-N-phenyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
MOLECULAR FORMULA: C19H18N2O2S
MOLECULAR WEIGHT: 338.42342
SMILES: COC1=C(C=C2C(=C1)CCC3=C2N=C(S3)NC4=CC=CC=C4)OC
Structure:

CAS RN: 57595-85-4
CAS Name: 7,8-dimethoxy-10,11-dihydronaphtho[1,2-g][1,2]benzoxazole
OPENEYE Name: 7,8-dimethoxy-10,11-dihydronaphtho[1,2-g][1,2]benzoxazole
IUPAC Name: 7,8-dimethoxy-10,11-dihydronaphtho[1,2-g][1,2]benzoxazole
SYSTEMATIC NAME: 7,8-dimethoxy-10,11-dihydronaphtho[1,2-g][1,2]benzoxazole
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: COC1=C(C=C2C3=C(C=CC2=C1)C4=C(CC3)C=NO4)OC
Structure:

CAS RN: 57595-90-1
CAS Name: 7,8-dimethoxy-10,11-dihydro-3H-naphtho[1,2-g]indazole
OPENEYE Name: 7,8-dimethoxy-10,11-dihydro-3H-naphtho[1,2-g]indazole
IUPAC Name: 7,8-dimethoxy-10,11-dihydro-3H-naphtho[1,2-g]indazole
SYSTEMATIC NAME: 7,8-dimethoxy-10,11-dihydro-3H-naphtho[1,2-g]indazole
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: COC1=C(C=C2C3=C(C=CC2=C1)C4=C(CC3)C=NN4)OC
Structure:

CAS RN: 57595-83-2
CAS Name: 7,8-dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
OPENEYE Name: 7,8-dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
IUPAC Name: 7,8-dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
SYSTEMATIC NAME: 7,8-dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: COC1=C(C=C2C(=C1)CCC3=C2ON=C3)OC
Structure:

CAS RN: 57595-89-8
CAS Name: 7,8-dimethoxy-2-methyl-4,5-dihydrobenzo[e][1,3]benzothiazole
OPENEYE Name: 7,8-dimethoxy-2-methyl-4,5-dihydrobenzo[e][1,3]benzothiazole
IUPAC Name: 7,8-dimethoxy-2-methyl-4,5-dihydrobenzo[e][1,3]benzothiazole
SYSTEMATIC NAME: 7,8-dimethoxy-2-methyl-4,5-dihydrobenzo[e][1,3]benzothiazole
MOLECULAR FORMULA: C14H15NO2S
MOLECULAR WEIGHT: 261.3394
SMILES: CC1=NC2=C(S1)CCC3=CC(=C(C=C32)OC)OC
Structure:

CAS RN: 57595-86-5
CAS Name: 7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
OPENEYE Name: 7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
IUPAC Name: 7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SYSTEMATIC NAME: 7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: COC1=C(C=C2C(=C1)CCC3=C2N=C(S3)N)OC
Structure:

CAS RN: 7226-64-4
CAS Name: 7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
OPENEYE Name: 7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
IUPAC Name: 7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SYSTEMATIC NAME: 7,8-dimethoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: COC1=C(C=C2C(=C1)CCC3=C2N=C(S3)N)OC
Structure:

CAS RN: 57595-73-0
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(7,8-dimethoxy-4,5-dihydrobenzo[g]indazol-1-yl)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(7,8-dimethoxy-4,5-dihydrobenzo[g]indazol-1-yl)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(7,8-dimethoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(7,8-dimethoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C27H32N2O11
MOLECULAR WEIGHT: 560.54978
SMILES: CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=CC(=C(C=C43)OC)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C
Structure:

CAS RN: 57595-77-4
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C26H30N2O10
MOLECULAR WEIGHT: 530.5238
SMILES: CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=C3C=CC(=C4)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C
Structure:

CAS RN: 69966-70-7
CAS Name: N,N-bis(2-chloroethyl)-2,3,6-trimethoxy-9-phenanthrenecarboxamide
OPENEYE Name: N,N-bis(2-chloroethyl)-2,3,6-trimethoxy-phenanthrene-9-carboxamide
IUPAC Name: N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2,3,6-trimethoxy-phenanthrene-9-carboxamide
MOLECULAR FORMULA: C22H23Cl2NO4
MOLECULAR WEIGHT: 436.32832
SMILES: COC1=CC2=C3C=C(C(=CC3=CC(=C2C=C1)C(=O)N(CCCl)CCCl)OC)OC
Structure:

CAS RN: 58265-09-1
CAS Name: 6-[bis(2-chloroethyl)aminomethyl]-1-benzopyran-2-one
OPENEYE Name: 6-[bis(2-chloroethyl)aminomethyl]chromen-2-one
IUPAC Name: 6-[bis(2-chloroethyl)aminomethyl]chromen-2-one
SYSTEMATIC NAME: 6-[bis(2-chloroethyl)aminomethyl]chromen-2-one
MOLECULAR FORMULA: C14H15Cl2NO2
MOLECULAR WEIGHT: 300.1804
SMILES: C1=CC2=C(C=CC(=O)O2)C=C1CN(CCCl)CCCl
Structure:

CAS RN: 27305-41-5
CAS Name: 8-hydroxy-2,2-dimethyl-7-phenyl-3,4-dihydropyrano[3,2-g][1]benzopyran-6-one
OPENEYE Name: 8-hydroxy-2,2-dimethyl-7-phenyl-3,4-dihydropyrano[3,2-g]chromen-6-one
IUPAC Name: 8-hydroxy-2,2-dimethyl-7-phenyl-3,4-dihydropyrano[3,2-g]chromen-6-one
SYSTEMATIC NAME: 2,2-dimethyl-8-oxidanyl-7-phenyl-3,4-dihydropyrano[3,2-g]chromen-6-one
MOLECULAR FORMULA: C20H18O4
MOLECULAR WEIGHT: 322.35452
SMILES: CC1(CCC2=C(O1)C=C3C(=C2)C(=O)C(=C(O3)O)C4=CC=CC=C4)C
Structure:

CAS RN: 61503-82-0
CAS Name: 3-chloro-2-hydroxy-7-methoxy-1-benzopyran-4-one
OPENEYE Name: 3-chloro-2-hydroxy-7-methoxy-chromen-4-one
IUPAC Name: 3-chloro-2-hydroxy-7-methoxychromen-4-one
SYSTEMATIC NAME: 3-chloranyl-7-methoxy-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C10H7ClO4
MOLECULAR WEIGHT: 226.61318
SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)O)Cl
Structure:

CAS RN: 92151-91-2
CAS Name: 2-hydroxy-3-methyl-4-benzo[h][1]benzopyranone
OPENEYE Name: 2-hydroxy-3-methyl-benzo[h]chromen-4-one
IUPAC Name: 2-hydroxy-3-methylbenzo[h]chromen-4-one
SYSTEMATIC NAME: 3-methyl-2-oxidanyl-benzo[h]chromen-4-one
MOLECULAR FORMULA: C14H10O3
MOLECULAR WEIGHT: 226.2274
SMILES: CC1=C(OC2=C(C1=O)C=CC3=CC=CC=C32)O
Structure:

CAS RN: 20647-62-5
CAS Name: 2-hydroxy-7-methoxy-3-(3-methoxyphenoxy)-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-7-methoxy-3-(3-methoxyphenoxy)chromen-4-one
IUPAC Name: 2-hydroxy-7-methoxy-3-(3-methoxyphenoxy)chromen-4-one
SYSTEMATIC NAME: 7-methoxy-3-(3-methoxyphenoxy)-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)O)OC3=CC(=CC=C3)OC
Structure:

CAS RN: 19725-92-9
CAS Name: 2-hydroxy-3-phenoxy-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-3-phenoxy-chromen-4-one
IUPAC Name: 2-hydroxy-3-phenoxychromen-4-one
SYSTEMATIC NAME: 2-oxidanyl-3-phenoxy-chromen-4-one
MOLECULAR FORMULA: C15H10O4
MOLECULAR WEIGHT: 254.2375
SMILES: C1=CC=C(C=C1)OC2=C(OC3=CC=CC=C3C2=O)O
Structure:

CAS RN: 64556-15-6
CAS Name: 2-hydroxy-3,8-diphenyl-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-3,8-diphenyl-chromen-4-one
IUPAC Name: 2-hydroxy-3,8-diphenylchromen-4-one
SYSTEMATIC NAME: 2-oxidanyl-3,8-diphenyl-chromen-4-one
MOLECULAR FORMULA: C21H14O3
MOLECULAR WEIGHT: 314.33406
SMILES: C1=CC=C(C=C1)C2=CC=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)O
Structure:

CAS RN: 59661-50-6
CAS Name: 4,6-dimethyl-1-(3-nitrophenyl)-3-pyrrolo[2,3-b]pyridinecarbonitrile
OPENEYE Name: 4,6-dimethyl-1-(3-nitrophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
IUPAC Name: 4,6-dimethyl-1-(3-nitrophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SYSTEMATIC NAME: 4,6-dimethyl-1-(3-nitrophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
MOLECULAR FORMULA: C16H12N4O2
MOLECULAR WEIGHT: 292.29208
SMILES: CC1=CC(=NC2=C1C(=CN2C3=CC(=CC=C3)[N+](=O)[O-])C#N)C
Structure:

CAS RN: 59661-54-0
CAS Name: 1-(3-chlorophenyl)-6-methyl-4-phenyl-3-pyrrolo[2,3-b]pyridinecarbonitrile
OPENEYE Name: 1-(3-chlorophenyl)-6-methyl-4-phenyl-pyrrolo[2,3-b]pyridine-3-carbonitrile
IUPAC Name: 1-(3-chlorophenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine-3-carbonitrile
SYSTEMATIC NAME: 1-(3-chlorophenyl)-6-methyl-4-phenyl-pyrrolo[2,3-b]pyridine-3-carbonitrile
MOLECULAR FORMULA: C21H14ClN3
MOLECULAR WEIGHT: 343.80896
SMILES: CC1=NC2=C(C(=C1)C3=CC=CC=C3)C(=CN2C4=CC(=CC=C4)Cl)C#N
Structure:

CAS RN: 59661-60-8
CAS Name: 1-(3-chlorophenyl)-3-pyrrolo[2,3-b]pyridinecarbonitrile
OPENEYE Name: 1-(3-chlorophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
IUPAC Name: 1-(3-chlorophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SYSTEMATIC NAME: 1-(3-chlorophenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
MOLECULAR FORMULA: C14H8ClN3
MOLECULAR WEIGHT: 253.68642
SMILES: C1=CC(=CC(=C1)Cl)N2C=C(C3=C2N=CC=C3)C#N
Structure:

CAS RN: 4095-03-8
CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoic acid ethyl ester
OPENEYE Name: ethyl 3-[3-(3-ethoxy-3-oxo-propyl)-2-oxo-cyclohexyl]propanoate
IUPAC Name: ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate
SYSTEMATIC NAME: ethyl 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-2-oxidanylidene-cyclohexyl]propanoate
MOLECULAR FORMULA: C16H26O5
MOLECULAR WEIGHT: 298.37464
SMILES: CCOC(=O)CCC1CCCC(C1=O)CCC(=O)OCC
Structure:

CAS RN: 4095-02-7
CAS Name: 3-(2-oxocyclohexyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(2-oxocyclohexyl)propanoate
IUPAC Name: ethyl 3-(2-oxocyclohexyl)propanoate
SYSTEMATIC NAME: ethyl 3-(2-oxidanylidenecyclohexyl)propanoate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CCOC(=O)CCC1CCCCC1=O
Structure:

CAS RN: 4992-42-1
CAS Name: 2-(phenylmethyl)-1-cyclohexanecarboxylic acid
OPENEYE Name: 2-benzylcyclohexanecarboxylic acid
IUPAC Name: 2-benzylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 2-(phenylmethyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: C1CCC(C(C1)CC2=CC=CC=C2)C(=O)O
Structure:

CAS RN: 3586-86-5
CAS Name: 2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one
OPENEYE Name: 2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one
IUPAC Name: 2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one
SYSTEMATIC NAME: 2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one
MOLECULAR FORMULA: C14H16O
MOLECULAR WEIGHT: 200.27624
SMILES: C1CCC2C(C1)CC3=CC=CC=C3C2=O
Structure:

CAS RN: 72262-67-0
CAS Name: 1-hydroxy-3,5-dinitro-2-pyridinone
OPENEYE Name: 1-hydroxy-3,5-dinitro-pyridin-2-one
IUPAC Name: 1-hydroxy-3,5-dinitropyridin-2-one
SYSTEMATIC NAME: 3,5-dinitro-1-oxidanyl-pyridin-2-one
MOLECULAR FORMULA: C5H3N3O6
MOLECULAR WEIGHT: 201.09382
SMILES: C1=C(C(=O)N(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
Structure:

CAS RN: 90799-81-8
CAS Name: 6-chloro-2-phenyl-4-pyrimidinamine
OPENEYE Name: 6-chloro-2-phenyl-pyrimidin-4-amine
IUPAC Name: 6-chloro-2-phenylpyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-2-phenyl-pyrimidin-4-amine
MOLECULAR FORMULA: C10H8ClN3
MOLECULAR WEIGHT: 205.64362
SMILES: C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)N
Structure:

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