Thursday, January 26, 2012

http://ChemLookup.com Compounds




CAS RN: 147394-58-9
CAS Name: (2-fluorophenyl)-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanone
OPENEYE Name: (2-fluorophenyl)-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanone
IUPAC Name: (2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SYSTEMATIC NAME: (2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
MOLECULAR FORMULA: C16H13FO2
MOLECULAR WEIGHT: 256.271623
SMILES: CC1CC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3F
Structure:

CAS RN: 147394-57-8
CAS Name: (2-methyl-2,3-dihydrobenzofuran-5-yl)-phenylmethanone
OPENEYE Name: (2-methyl-2,3-dihydrobenzofuran-5-yl)-phenyl-methanone
IUPAC Name: (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-phenylmethanone
SYSTEMATIC NAME: (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-phenyl-methanone
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: CC1CC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3
Structure:

CAS RN: 147394-49-8
CAS Name: (2-fluorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
OPENEYE Name: (2-fluorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
IUPAC Name: (2-fluorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
SYSTEMATIC NAME: (2-fluorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
MOLECULAR FORMULA: C17H15FO2
MOLECULAR WEIGHT: 270.298203
SMILES: C1CCOC2=C(C1)C=C(C=C2)C(=O)C3=CC=CC=C3F
Structure:

CAS RN: 147394-48-7
CAS Name: phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
OPENEYE Name: phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
IUPAC Name: phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
SYSTEMATIC NAME: phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
MOLECULAR FORMULA: C17H16O2
MOLECULAR WEIGHT: 252.30774
SMILES: C1CCOC2=C(C1)C=C(C=C2)C(=O)C3=CC=CC=C3
Structure:

CAS RN: 147384-57-4
CAS Name: acetic acid [(2S,3R,4S)-2-[(3R,4aR,6aS,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] ester
OPENEYE Name: [(1R,2S)-1-[(1S)-1-[(3R,4aR,6aS,12S,12aS,12bR)-12-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]ethyl]-2-methyl-butyl] acetate
IUPAC Name: [(2S,3R,4S)-2-[(3R,4aR,6aS,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
SYSTEMATIC NAME: [(2S,3R,4S)-2-[(3R,4aR,6aS,12S,12aS,12bR)-6a,12b-dimethyl-12-oxidanyl-8,11-bis(oxidanylidene)-3-(2-oxidanylpropan-2-yl)-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methyl-hexan-3-yl] ethanoate
MOLECULAR FORMULA: C30H44O8
MOLECULAR WEIGHT: 532.66556
SMILES: CC[C@H](C)[C@H]([C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(C)(C)O)C)C)OC(=O)C
Structure:

CAS RN: 147359-16-8
CAS Name: 4-chloro-6-methoxy-1-nitrosoindole
OPENEYE Name: 4-chloro-6-methoxy-1-nitroso-indole
IUPAC Name: 4-chloro-6-methoxy-1-nitrosoindole
SYSTEMATIC NAME: 4-chloranyl-6-methoxy-1-nitroso-indole
MOLECULAR FORMULA: C9H7ClN2O2
MOLECULAR WEIGHT: 210.61708
SMILES: COC1=CC(=C2C=CN(C2=C1)N=O)Cl
Structure:

CAS RN: 147352-77-0
CAS Name: 1-phenyl-2-(2,3,3-trimethyl-1-cyclopentenyl)ethanamine
OPENEYE Name: 1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine
IUPAC Name: 1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine
SYSTEMATIC NAME: 1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine
MOLECULAR FORMULA: C16H23N
MOLECULAR WEIGHT: 229.36052
SMILES: CC1=C(CCC1(C)C)CC(C2=CC=CC=C2)N
Structure:

CAS RN: 147310-67-6
CAS Name: zinc; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2,3,4,5,6-pentahydroxyhexanoate
OPENEYE Name: zinc; (2S)-2-amino-5-guanidino-pentanoic acid; 2,3,4,5,6-pentahydroxyhexanoate
IUPAC Name: zinc; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2,3,4,5,6-pentahydroxyhexanoate
SYSTEMATIC NAME: zinc; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2,3,4,5,6-pentakis(oxidanyl)hexanoate
MOLECULAR FORMULA: C18H36N4O16Zn
MOLECULAR WEIGHT: 629.90464
SMILES: C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Zn+2]
Structure:

CAS RN: 147297-18-5
CAS Name: 5,6-dimethyl-2-[4-(4-phenyl-1-piperazinyl)butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
OPENEYE Name: 5,6-dimethyl-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
IUPAC Name: 5,6-dimethyl-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
SYSTEMATIC NAME: 5,6-dimethyl-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
MOLECULAR FORMULA: C23H28N4O3
MOLECULAR WEIGHT: 408.49342
SMILES: CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=C4
Structure:

CAS RN: 147297-09-4
CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
OPENEYE Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethyl-pyrrolo[3,4-c]pyridine-1,3,4-trione
IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
SYSTEMATIC NAME: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethyl-pyrrolo[3,4-c]pyridine-1,3,4-trione
MOLECULAR FORMULA: C20H21ClN4O3
MOLECULAR WEIGHT: 400.85874
SMILES: CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl
Structure:

CAS RN: 147297-08-3
CAS Name: 2-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
OPENEYE Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethyl-pyrrolo[3,4-c]pyridine-1,3,4-trione
IUPAC Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
SYSTEMATIC NAME: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethyl-pyrrolo[3,4-c]pyridine-1,3,4-trione
MOLECULAR FORMULA: C20H21ClN4O3
MOLECULAR WEIGHT: 400.85874
SMILES: CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC=C4Cl
Structure:

CAS RN: 147297-04-9
CAS Name: 1-[3-[4-(2-chlorophenyl)-1-piperazinyl]propyl]-7-methyl-2,4-dioxo-3-phenyl-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-7-methyl-2,4-dioxo-3-phenyl-pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-7-methyl-2,4-bis(oxidanylidene)-3-phenyl-pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C30H32ClN5O4
MOLECULAR WEIGHT: 562.05918
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=O)N2CCCN3CCN(CC3)C4=CC=CC=C4Cl)C5=CC=CC=C5)C
Structure:

CAS RN: 147297-03-8
CAS Name: 7-methyl-2,4-dioxo-3-phenyl-1-[3-(4-phenyl-1-piperazinyl)propyl]-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 7-methyl-2,4-bis(oxidanylidene)-3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C30H33N5O4
MOLECULAR WEIGHT: 527.61412
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=O)N2CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C
Structure:

CAS RN: 147296-98-8
CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-3,7-dimethyl-4-oxo-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-3,7-dimethyl-4-oxo-pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-3,7-dimethyl-4-oxopyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-3,7-dimethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C25H30ClN5O3S
MOLECULAR WEIGHT: 516.0554
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C)C
Structure:

CAS RN: 147296-97-7
CAS Name: 2-[3-[4-(2-chlorophenyl)-1-piperazinyl]propylthio]-3,7-dimethyl-4-oxo-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylsulfanyl]-3,7-dimethyl-4-oxo-pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylsulfanyl]-3,7-dimethyl-4-oxopyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylsulfanyl]-3,7-dimethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C25H30ClN5O3S
MOLECULAR WEIGHT: 516.0554
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4Cl)C)C
Structure:

CAS RN: 147296-96-6
CAS Name: 3,7-dimethyl-4-oxo-2-[3-(4-phenyl-1-piperazinyl)propylthio]-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3,7-dimethyl-4-oxo-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 3,7-dimethyl-4-oxo-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 3,7-dimethyl-4-oxidanylidene-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C25H31N5O3S
MOLECULAR WEIGHT: 481.61034
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4)C)C
Structure:

CAS RN: 147296-94-4
CAS Name: 7-methyl-4-oxo-3-phenyl-2-[3-(4-phenyl-1-piperazinyl)propylthio]-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 7-methyl-4-oxo-3-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 7-methyl-4-oxo-3-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 7-methyl-4-oxidanylidene-3-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C30H33N5O3S
MOLECULAR WEIGHT: 543.67972
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C
Structure:

CAS RN: 147249-34-1
CAS Name: 2-hydroxybenzoic acid (2-methyl-4-oxo-3-pyranyl) ester
OPENEYE Name: (2-methyl-4-oxo-pyran-3-yl) 2-hydroxybenzoate
IUPAC Name: (2-methyl-4-oxopyran-3-yl) 2-hydroxybenzoate
SYSTEMATIC NAME: (2-methyl-4-oxidanylidene-pyran-3-yl) 2-oxidanylbenzoate
MOLECULAR FORMULA: C13H10O5
MOLECULAR WEIGHT: 246.2155
SMILES: CC1=C(C(=O)C=CO1)OC(=O)C2=CC=CC=C2O
Structure:

CAS RN: 147241-85-8
CAS Name: N,N-dimethyl-2-[[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]ethanamine
OPENEYE Name: N,N-dimethyl-2-[2-methyl-4-[3-(trifluoromethyl)phenyl]chroman-7-yl]oxy-ethanamine
IUPAC Name: N,N-dimethyl-2-[[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]oxy]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]oxy]ethanamine
MOLECULAR FORMULA: C21H24F3NO2
MOLECULAR WEIGHT: 379.41597
SMILES: CC1CC(C2=C(O1)C=C(C=C2)OCCN(C)C)C3=CC(=CC=C3)C(F)(F)F
Structure:

CAS RN: 147217-65-0
CAS Name: 1-(2-chloroethyl)-3-[[(4-chlorophenyl)-oxomethyl]amino]-1-nitrosourea
OPENEYE Name: 3-[(4-chlorobenzoyl)amino]-1-(2-chloroethyl)-1-nitroso-urea
IUPAC Name: 3-[(4-chlorobenzoyl)amino]-1-(2-chloroethyl)-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(4-chlorophenyl)carbonylamino]-1-nitroso-urea
MOLECULAR FORMULA: C10H10Cl2N4O3
MOLECULAR WEIGHT: 305.1174
SMILES: C1=CC(=CC=C1C(=O)NNC(=O)N(CCCl)N=O)Cl
Structure:

CAS RN: 147217-64-9
CAS Name: 3-[[(4-aminophenyl)-oxomethyl]amino]-1-(2-chloroethyl)-1-nitrosourea
OPENEYE Name: 3-[(4-aminobenzoyl)amino]-1-(2-chloroethyl)-1-nitroso-urea
IUPAC Name: 3-[(4-aminobenzoyl)amino]-1-(2-chloroethyl)-1-nitrosourea
SYSTEMATIC NAME: 3-[(4-aminophenyl)carbonylamino]-1-(2-chloroethyl)-1-nitroso-urea
MOLECULAR FORMULA: C10H12ClN5O3
MOLECULAR WEIGHT: 285.68698
SMILES: C1=CC(=CC=C1C(=O)NNC(=O)N(CCCl)N=O)N
Structure:

CAS RN: 147217-63-8
CAS Name: 1-(2-chloroethyl)-3-[[(2-hydroxyphenyl)-oxomethyl]amino]-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-[(2-hydroxybenzoyl)amino]-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-[(2-hydroxybenzoyl)amino]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(2-hydroxyphenyl)carbonylamino]-1-nitroso-urea
MOLECULAR FORMULA: C10H11ClN4O4
MOLECULAR WEIGHT: 286.67174
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)N(CCCl)N=O)O
Structure:

CAS RN: 147217-62-7
CAS Name: 1-(2-chloroethyl)-1-nitroso-3-[(1-oxo-2-phenylethyl)amino]urea
OPENEYE Name: 1-(2-chloroethyl)-1-nitroso-3-[(2-phenylacetyl)amino]urea
IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-[(2-phenylacetyl)amino]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-1-nitroso-3-(2-phenylethanoylamino)urea
MOLECULAR FORMULA: C11H13ClN4O3
MOLECULAR WEIGHT: 284.69892
SMILES: C1=CC=C(C=C1)CC(=O)NNC(=O)N(CCCl)N=O
Structure:

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