Sunday, July 29, 2012

http://ChemLookup.com Compounds




CAS RN: 1847-88-7
CAS Name: (8S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,10S,13S,14S,17S)-10,13,17-trimethyl-17-oxidanyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H26O2
MOLECULAR WEIGHT: 298.41924
SMILES: C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)O
Structure:

CAS RN: 1038-81-9
CAS Name: 2-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
OPENEYE Name: 2-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
IUPAC Name: 2-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
SYSTEMATIC NAME: 2-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: CCC1=C(C(=NN1)C2=CC=C(C=C2)OC)C3=CC=CC=C3O
Structure:

CAS RN: 10454-62-3
CAS Name: (4-hydroxyphenyl)-(2-propan-2-yl-3-benzofuranyl)methanone
OPENEYE Name: (4-hydroxyphenyl)-(2-isopropylbenzofuran-3-yl)methanone
IUPAC Name: (4-hydroxyphenyl)-(2-propan-2-yl-1-benzofuran-3-yl)methanone
SYSTEMATIC NAME: (4-hydroxyphenyl)-(2-propan-2-yl-1-benzofuran-3-yl)methanone
MOLECULAR FORMULA: C18H16O3
MOLECULAR WEIGHT: 280.31784
SMILES: CC(C)C1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
Structure:

CAS RN: 3151-55-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@]45[C@]3(C4)C=CC(=O)C5
Structure:

CAS RN: 6428-40-6
CAS Name: (8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-17-spiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]one
OPENEYE Name: (8R,9S,10R,13S,14S)-4,4,10,13-tetramethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
IUPAC Name: (8R,9S,10R,13S,14S)-4,4,10,13-tetramethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-4,4,10,13-tetramethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
MOLECULAR FORMULA: C23H34O3
MOLECULAR WEIGHT: 358.51426
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC5(C4(C)C)OCCO5)C
Structure:

CAS RN: 20352-39-0
CAS Name: (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10R,13S,14S,17S)-10-(hydroxymethyl)-13-methyl-17-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H30O3
MOLECULAR WEIGHT: 306.4397
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CCC(=O)C4)CO
Structure:

CAS RN: 2026-82-6
CAS Name: (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10R,13S,14S,17S)-10-(hydroxymethyl)-13-methyl-17-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H30O3
MOLECULAR WEIGHT: 306.4397
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CCC(=O)C4)CO
Structure:

CAS RN: 5452-43-7
CAS Name: 2-[2-bromoethyl(butan-2-yl)phosphoryl]butane
OPENEYE Name: 2-[2-bromoethyl(sec-butyl)phosphoryl]butane
IUPAC Name: 2-[2-bromoethyl(butan-2-yl)phosphoryl]butane
SYSTEMATIC NAME: 2-[2-bromoethyl(butan-2-yl)phosphoryl]butane
MOLECULAR FORMULA: C10H22BrOP
MOLECULAR WEIGHT: 269.158841
SMILES: CCC(C)P(=O)(CCBr)C(C)CC
Structure:

CAS RN: 203385-78-8
CAS Name: 1-(2-chloroethyl)-3-[(2-chloroethylamino)-oxomethyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2-chloroethylcarbamoyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-chloroethylcarbamoyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2-chloroethylcarbamoyl)urea
MOLECULAR FORMULA: C6H11Cl2N3O2
MOLECULAR WEIGHT: 228.07644
SMILES: C(CCl)NC(=O)NC(=O)NCCCl
Structure:

CAS RN: 7317-82-0
CAS Name: 3-methyl-1H-cinnolin-4-one
OPENEYE Name: 3-methyl-1H-cinnolin-4-one
IUPAC Name: 3-methyl-1H-cinnolin-4-one
SYSTEMATIC NAME: 3-methyl-1H-cinnolin-4-one
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CC1=NNC2=CC=CC=C2C1=O
Structure:

CAS RN: 21443-52-7
CAS Name: (4-nitrophenyl)-[4-[(4-nitrophenyl)-oxomethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]methanone
OPENEYE Name: [4-(4-nitrobenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-nitrophenyl)methanone
IUPAC Name: [4-(4-nitrobenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-nitrophenyl)methanone
SYSTEMATIC NAME: (4-nitrophenyl)-[4-(4-nitrophenyl)carbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone
MOLECULAR FORMULA: C16H8N4O8
MOLECULAR WEIGHT: 384.25672
SMILES: C1=CC(=CC=C1C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-])[N+](=O)[O-]
Structure:

CAS RN: 24470-47-1
CAS Name: (4-nitrophenyl)-[4-[(4-nitrophenyl)-oxomethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]methanone
OPENEYE Name: [4-(4-nitrobenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-nitrophenyl)methanone
IUPAC Name: [4-(4-nitrobenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-nitrophenyl)methanone
SYSTEMATIC NAME: (4-nitrophenyl)-[4-(4-nitrophenyl)carbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone
MOLECULAR FORMULA: C16H8N4O8
MOLECULAR WEIGHT: 384.25672
SMILES: C1=CC(=CC=C1C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-])[N+](=O)[O-]
Structure:

CAS RN: 31792-64-0
CAS Name: 1,3-dimethyl-5,6-bis(methylamino)pyrimidine-2,4-dione
OPENEYE Name: 1,3-dimethyl-5,6-bis(methylamino)pyrimidine-2,4-dione
IUPAC Name: 1,3-dimethyl-5,6-bis(methylamino)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-5,6-bis(methylamino)pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H14N4O2
MOLECULAR WEIGHT: 198.22236
SMILES: CNC1=C(N(C(=O)N(C1=O)C)C)NC
Structure:

CAS RN: 23154-08-7
CAS Name: 3-(4-bromophenyl)-4-ethoxypyrrole-2,5-dione
OPENEYE Name: 3-(4-bromophenyl)-4-ethoxy-pyrrole-2,5-dione
IUPAC Name: 3-(4-bromophenyl)-4-ethoxypyrrole-2,5-dione
SYSTEMATIC NAME: 3-(4-bromophenyl)-4-ethoxy-pyrrole-2,5-dione
MOLECULAR FORMULA: C12H10BrNO3
MOLECULAR WEIGHT: 296.1167
SMILES: CCOC1=C(C(=O)NC1=O)C2=CC=C(C=C2)Br
Structure:

CAS RN: 17853-20-2
CAS Name: 2-ethyl-1-phenylguanidine
OPENEYE Name: 2-ethyl-1-phenyl-guanidine
IUPAC Name: 2-ethyl-1-phenylguanidine
SYSTEMATIC NAME: 2-ethyl-1-phenyl-guanidine
MOLECULAR FORMULA: C9H13N3
MOLECULAR WEIGHT: 163.21962
SMILES: CCN=C(N)NC1=CC=CC=C1
Structure:

CAS RN: 6805-36-3
CAS Name: 3-methyl-2-butenoic acid (6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl) ester
OPENEYE Name: (6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl) 3-methylbut-2-enoate
IUPAC Name: (6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl) 3-methylbut-2-enoate
SYSTEMATIC NAME: [1,5,8a-trimethyl-6-oxidanyl-2,8-bis(oxidanylidene)-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: CC1CC2C(C(C(=O)O2)C)C(C3(C1C(CC3=O)O)C)OC(=O)C=C(C)C
Structure:

CAS RN: 10106-41-9
CAS Name: acetic acid [(1R,3aR,5S,5aS,8aS,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] ester
OPENEYE Name: [(1R,3aR,5S,5aS,8aS,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
IUPAC Name: [(1R,3aR,5S,5aS,8aS,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
SYSTEMATIC NAME: [(1R,3aR,5S,5aS,8aS,9S,9aS)-1,5,8a-trimethyl-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C(=O)O2)C)[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C
Structure:

CAS RN: 10092-04-3
CAS Name: acetic acid [(1R,3aR,5S,5aS,8aS,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] ester
OPENEYE Name: [(1R,3aR,5S,5aS,8aS,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
IUPAC Name: [(1R,3aR,5S,5aS,8aS,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
SYSTEMATIC NAME: [(1R,3aR,5S,5aS,8aS,9S,9aS)-1,5,8a-trimethyl-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C(=O)O2)C)[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C
Structure:

CAS RN: 59907-23-2
CAS Name: (3aR,4aR,5R,8S,8aR,9aR)-5,8-dihydroxy-5,8a-dimethyl-3-methylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
OPENEYE Name: (3aR,4aR,5R,8S,8aR,9aR)-5,8-dihydroxy-5,8a-dimethyl-3-methylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
IUPAC Name: (3aR,4aR,5R,8S,8aR,9aR)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
SYSTEMATIC NAME: (3aR,4aR,5R,8S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,8-bis(oxidanyl)-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@]1(CC[C@@H]([C@]2([C@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)C)O)O
Structure:

CAS RN: 6754-35-4
CAS Name: (3aS,5R,5aS,6S,8R,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
OPENEYE Name: (3aS,5R,5aS,6S,8R,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
IUPAC Name: (3aS,5R,5aS,6S,8R,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
SYSTEMATIC NAME: (3aS,5R,5aS,6S,8R,8aS,9aR)-5,8a-dimethyl-1-methylidene-6,8-bis(oxidanyl)-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1[C@H](C[C@H]3O)O)C)C(=C)C(=O)O2
Structure:

CAS RN: 1461-34-3
CAS Name: (3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
OPENEYE Name: (3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
IUPAC Name: (3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
SYSTEMATIC NAME: (3aR,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-8-oxidanyl-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CC1=C2CC[C@@]([C@@H]2C[C@H]3[C@@H](C1)OC(=O)C3=C)(C)O
Structure:

CAS RN: 14663-73-1
CAS Name: (3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
OPENEYE Name: (3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
IUPAC Name: (3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
SYSTEMATIC NAME: (3aR,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-8-oxidanyl-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CC1=C2CC[C@@]([C@@H]2C[C@H]3[C@@H](C1)OC(=O)C3=C)(C)O
Structure:

CAS RN: 2571-81-5
CAS Name: (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
OPENEYE Name: (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
IUPAC Name: (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
SYSTEMATIC NAME: (3aS,6S,6aR,9aS,9bR)-6,9a-dimethyl-3-methylidene-6a-oxidanyl-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(CCC3=O)O)C)OC(=O)C2=C
Structure:

CAS RN: 508-59-8
CAS Name: 6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
OPENEYE Name: 6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
IUPAC Name: 6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
SYSTEMATIC NAME: 6,9a-dimethyl-3-methylidene-6a-oxidanyl-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C2=C
Structure:

CAS RN: 71066-29-0
CAS Name: (3aR,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
OPENEYE Name: (3aR,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
IUPAC Name: (3aR,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
SYSTEMATIC NAME: (3aR,4aS,8R,8aR,9aR)-8a-methyl-3,5-dimethylidene-8-oxidanyl-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C[C@@]12C[C@@H]3[C@H](C[C@H]1C(=C)CC[C@H]2O)C(=C)C(=O)O3
Structure:

CAS RN: 5938-03-4
CAS Name: (3aS,4aR,7R,8aS,9aS)-7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
OPENEYE Name: (3aS,4aR,7R,8aS,9aS)-7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
IUPAC Name: (3aS,4aR,7R,8aS,9aS)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
SYSTEMATIC NAME: (3aS,4aR,7R,8aS,9aS)-8a-methyl-3,5-dimethylidene-7-oxidanyl-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C[C@@]12C[C@@H](CC(=C)[C@H]1C[C@@H]3[C@H](C2)OC(=O)C3=C)O
Structure:

CAS RN: 509-93-3
CAS Name: 6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
OPENEYE Name: 6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
IUPAC Name: 6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
SYSTEMATIC NAME: 6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C
Structure:

CAS RN: 4099-85-8
CAS Name: (4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methanol
OPENEYE Name: (4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methanol
IUPAC Name: (4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methanol
SYSTEMATIC NAME: (4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methanol
MOLECULAR FORMULA: C9H16O5
MOLECULAR WEIGHT: 204.22034
SMILES: CC1(OC2C(OC(C2O1)OC)CO)C
Structure:

CAS RN: 4669-06-1
CAS Name: N-(1-naphthalenyl)-2-naphthalenamine
OPENEYE Name: N-(1-naphthyl)naphthalen-2-amine
IUPAC Name: N-naphthalen-1-ylnaphthalen-2-amine
SYSTEMATIC NAME: N-naphthalen-1-ylnaphthalen-2-amine
MOLECULAR FORMULA: C20H15N
MOLECULAR WEIGHT: 269.3398
SMILES: C1=CC=C2C=C(C=CC2=C1)NC3=CC=CC4=CC=CC=C43
Structure:

CAS RN: 5664-78-8
CAS Name: 2-thiophen-2-yl-2,3-dihydro-1H-perimidine
OPENEYE Name: 2-(2-thienyl)-2,3-dihydro-1H-perimidine
IUPAC Name: 2-thiophen-2-yl-2,3-dihydro-1H-perimidine
SYSTEMATIC NAME: 2-thiophen-2-yl-2,3-dihydro-1H-perimidine
MOLECULAR FORMULA: C15H12N2S
MOLECULAR WEIGHT: 252.33418
SMILES: C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=CS4
Structure:

CAS RN: 80544-75-8
CAS Name: 2-cyano-2-phenylbutanamide
OPENEYE Name: 2-cyano-2-phenyl-butanamide
IUPAC Name: 2-cyano-2-phenylbutanamide
SYSTEMATIC NAME: 2-cyano-2-phenyl-butanamide
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: CCC(C#N)(C1=CC=CC=C1)C(=O)N
Structure:

CAS RN: 15427-81-3
CAS Name: 2-amino-2,2-diphenylacetamide
OPENEYE Name: 2-amino-2,2-diphenyl-acetamide
IUPAC Name: 2-amino-2,2-diphenylacetamide
SYSTEMATIC NAME: 2-azanyl-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C14H14N2O
MOLECULAR WEIGHT: 226.27376
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N)N
Structure:

CAS RN: 90087-91-5
CAS Name: 2,2-diethylthiomorpholine-3,5-dione
OPENEYE Name: 2,2-diethylthiomorpholine-3,5-dione
IUPAC Name: 2,2-diethylthiomorpholine-3,5-dione
SYSTEMATIC NAME: 2,2-diethylthiomorpholine-3,5-dione
MOLECULAR FORMULA: C8H13NO2S
MOLECULAR WEIGHT: 187.25932
SMILES: CCC1(C(=O)NC(=O)CS1)CC
Structure:

CAS RN: 17424-73-6
CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-phenyl-3-indolyl]acetic acid
OPENEYE Name: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-phenyl-indol-3-yl]acetic acid
IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-phenylindol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-phenyl-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C24H20ClNO2
MOLECULAR WEIGHT: 389.8741
SMILES: CC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl
Structure:

CAS RN: 92503-66-7
CAS Name: 2-amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol
OPENEYE Name: 2-amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol
IUPAC Name: 2-amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol
SYSTEMATIC NAME: 2-azanyl-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol
MOLECULAR FORMULA: C8H11N3OS
MOLECULAR WEIGHT: 197.25744
SMILES: CC1=C2CCC(SC2=NC(=N1)N)O
Structure:

CAS RN: 38822-02-5
CAS Name: 3-[4-(dimethylaminoazo)phenyl]propanehydrazide
OPENEYE Name: 3-[4-(dimethylaminoazo)phenyl]propanehydrazide
IUPAC Name: 3-[4-(dimethylaminodiazenyl)phenyl]propanehydrazide
SYSTEMATIC NAME: 3-[4-(dimethylaminodiazenyl)phenyl]propanehydrazide
MOLECULAR FORMULA: C11H17N5O
MOLECULAR WEIGHT: 235.28558
SMILES: CN(C)N=NC1=CC=C(C=C1)CCC(=O)NN
Structure:

CAS RN: 16232-41-0
CAS Name: 1-(2-chloroethyl)-3-[(1R,2S)-2-hydroxycyclohexyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[(1R,2S)-2-hydroxycyclohexyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[(1R,2S)-2-hydroxycyclohexyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(1R,2S)-2-oxidanylcyclohexyl]urea
MOLECULAR FORMULA: C9H17ClN2O2
MOLECULAR WEIGHT: 220.69648
SMILES: C1CC[C@@H]([C@@H](C1)NC(=O)NCCCl)O
Structure:

CAS RN: 16230-82-3
CAS Name: 1-[(1R,2S)-2-chlorocyclohexyl]-3-(2-chloroethyl)urea
OPENEYE Name: 1-[(1R,2S)-2-chlorocyclohexyl]-3-(2-chloroethyl)urea
IUPAC Name: 1-[(1R,2S)-2-chlorocyclohexyl]-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-[(1R,2S)-2-chloranylcyclohexyl]-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C9H16Cl2N2O
MOLECULAR WEIGHT: 239.14214
SMILES: C1CC[C@@H]([C@@H](C1)NC(=O)NCCCl)Cl
Structure:

CAS RN: 7325-41-9
CAS Name: 2-(diphenylmethylene)-3-ethyloxazolidine-4,5-dione
OPENEYE Name: 2-benzhydrylidene-3-ethyl-oxazolidine-4,5-dione
IUPAC Name: 2-benzhydrylidene-3-ethyl-1,3-oxazolidine-4,5-dione
SYSTEMATIC NAME: 2-(diphenylmethylidene)-3-ethyl-1,3-oxazolidine-4,5-dione
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: CCN1C(=O)C(=O)OC1=C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 53635-02-2
CAS Name: 1,4,4-triethylpyrrolidine-2,3,5-trione
OPENEYE Name: 1,4,4-triethylpyrrolidine-2,3,5-trione
IUPAC Name: 1,4,4-triethylpyrrolidine-2,3,5-trione
SYSTEMATIC NAME: 1,4,4-triethylpyrrolidine-2,3,5-trione
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CCC1(C(=O)C(=O)N(C1=O)CC)CC
Structure:

CAS RN: 5394-31-0
CAS Name: 1,4,4-triethylpyrrolidine-2,3,5-trione
OPENEYE Name: 1,4,4-triethylpyrrolidine-2,3,5-trione
IUPAC Name: 1,4,4-triethylpyrrolidine-2,3,5-trione
SYSTEMATIC NAME: 1,4,4-triethylpyrrolidine-2,3,5-trione
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CCC1(C(=O)C(=O)N(C1=O)CC)CC
Structure:

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