CAS RN: 22288-66-0
CAS Name: pyrido[1,2-a]pyrimidine-2,4-dione
OPENEYE Name: pyrido[1,2-a]pyrimidine-2,4-dione
IUPAC Name: pyrido[1,2-a]pyrimidine-2,4-dione
SYSTEMATIC NAME: pyrido[1,2-a]pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H6N2O2
MOLECULAR WEIGHT: 162.14544
SMILES: C1C(=O)N=C2C=CC=CN2C1=O
Structure:
CAS RN: 482-11-1
CAS Name: 1-[2-(1-naphthalenyl)ethyl]-2-pyrrolidinone
OPENEYE Name: 1-[2-(1-naphthyl)ethyl]pyrrolidin-2-one
IUPAC Name: 1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: C1CC(=O)N(C1)CCC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 51838-02-9
CAS Name: 2-cyano-N-(2-phenylethyl)acetamide
OPENEYE Name: 2-cyano-N-(2-phenylethyl)acetamide
IUPAC Name: 2-cyano-N-(2-phenylethyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(2-phenylethyl)ethanamide
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: C1=CC=C(C=C1)CCNC(=O)CC#N
Structure:
CAS RN: 1123-49-5
CAS Name: 3,5-dimethyl-4-nitroisoxazole
OPENEYE Name: 3,5-dimethyl-4-nitro-isoxazole
IUPAC Name: 3,5-dimethyl-4-nitro-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-nitro-1,2-oxazole
MOLECULAR FORMULA: C5H6N2O3
MOLECULAR WEIGHT: 142.11274
SMILES: CC1=C(C(=NO1)C)[N+](=O)[O-]
Structure:
CAS RN: 39690-70-5
CAS Name: 1-fluorophenazine
OPENEYE Name: 1-fluorophenazine
IUPAC Name: 1-fluorophenazine
SYSTEMATIC NAME: 1-fluoranylphenazine
MOLECULAR FORMULA: C12H7FN2
MOLECULAR WEIGHT: 198.195783
SMILES: C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)F
Structure:
CAS RN: 15620-79-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32O7
MOLECULAR WEIGHT: 444.51738
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3C[C@@H]5[C@@]2(C1)O5)O)C6=CC(=O)OC6)C)C=O
Structure:
CAS RN: 7055-77-8
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-oxo-17-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-3H-pyran]yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-oxo-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-3H-pyran]-17-yl] acetate
IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-oxospiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-3H-pyran]-17-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-oxidanylidene-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-3H-pyran]-17-yl] ethanoate
MOLECULAR FORMULA: C27H40O5
MOLECULAR WEIGHT: 444.6035
SMILES: CCOC1=CC(=O)O[C@@]2(C1)CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5OC(=O)C)C)C
Structure:
CAS RN: 18380-57-9
CAS Name: 3-hydroxy-7-methoxy-3-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-7-methoxy-3-phenyl-chroman-4-one
IUPAC Name: 3-hydroxy-7-methoxy-3-phenyl-2H-chromen-4-one
SYSTEMATIC NAME: 7-methoxy-3-oxidanyl-3-phenyl-2H-chromen-4-one
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: COC1=CC2=C(C=C1)C(=O)C(CO2)(C3=CC=CC=C3)O
Structure:
CAS RN: 70460-66-1
CAS Name: acetic acid [3-(4-methoxyphenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-methoxyphenyl)-2-methyl-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C19H16O5
MOLECULAR WEIGHT: 324.32734
SMILES: CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=C(C=C3)OC
Structure:
CAS RN: 6083-69-8
CAS Name: (8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: (8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: CC1=CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC1)C)C)O
Structure:
CAS RN: 20529-19-5
CAS Name: 3-(4-phenyl-1-piperazinyl)-1-propanamine
OPENEYE Name: 3-(4-phenylpiperazin-1-yl)propan-1-amine
IUPAC Name: 3-(4-phenylpiperazin-1-yl)propan-1-amine
SYSTEMATIC NAME: 3-(4-phenylpiperazin-1-yl)propan-1-amine
MOLECULAR FORMULA: C13H21N3
MOLECULAR WEIGHT: 219.32594
SMILES: C1CN(CCN1CCCN)C2=CC=CC=C2
Structure:
CAS RN: 2082-61-3
CAS Name: 1-(dipropylamino)-3-prop-2-enoxy-2-propanol
OPENEYE Name: 1-allyloxy-3-(dipropylamino)propan-2-ol
IUPAC Name: 1-(dipropylamino)-3-prop-2-enoxypropan-2-ol
SYSTEMATIC NAME: 1-(dipropylamino)-3-prop-2-enoxy-propan-2-ol
MOLECULAR FORMULA: C12H25NO2
MOLECULAR WEIGHT: 215.3324
SMILES: CCCN(CCC)CC(COCC=C)O
Structure:
CAS RN: 28978-02-1
CAS Name: 3-[4-(3-hydroxypropyl)-1-piperazinyl]-1-propanol
OPENEYE Name: 3-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-ol
IUPAC Name: 3-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-ol
SYSTEMATIC NAME: 3-[4-(3-oxidanylpropyl)piperazin-1-yl]propan-1-ol
MOLECULAR FORMULA: C10H22N2O2
MOLECULAR WEIGHT: 202.29388
SMILES: C1CN(CCN1CCCO)CCCO
Structure:
CAS RN: 14150-64-2
CAS Name: 1-(diethylamino)-3-prop-2-enoxy-2-propanol
OPENEYE Name: 1-allyloxy-3-(diethylamino)propan-2-ol
IUPAC Name: 1-(diethylamino)-3-prop-2-enoxypropan-2-ol
SYSTEMATIC NAME: 1-(diethylamino)-3-prop-2-enoxy-propan-2-ol
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CCN(CC)CC(COCC=C)O
Structure:
CAS RN: 2309-38-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H46O5
MOLECULAR WEIGHT: 498.69394
SMILES: CC1=C(OC2C1C3(CCC4C(C3C2)CC=C5C4(CCC(C5)OC(=O)C)C)C)CCC(C)COC(=O)C
Structure:
CAS RN: 28831-12-1
CAS Name: acetic acid [(1R,3aS,3bR,5S,10aR,10bS,12aS)-1-acetyl-5,10a,12a-trimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydroindeno[4,5-i][3]benzazepin-1-yl] ester
OPENEYE Name: [(1R,3aS,3bR,5S,10aR,10bS,12aS)-1-acetyl-5,10a,12a-trimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydroindeno[4,5-i][3]benzazepin-1-yl] acetate
IUPAC Name: [(1R,3aS,3bR,5S,10aR,10bS,12aS)-1-acetyl-5,10a,12a-trimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydroindeno[4,5-i][3]benzazepin-1-yl] acetate
SYSTEMATIC NAME: [(1R,3aS,3bR,5S,10aR,10bS,12aS)-1-ethanoyl-5,10a,12a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydroindeno[4,5-i][3]benzazepin-1-yl] ethanoate
MOLECULAR FORMULA: C24H35NO4
MOLECULAR WEIGHT: 401.539
SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)NCC4)C
Structure:
CAS RN: 13908-90-2
CAS Name: 1-methyl-3-[4-(methylcarbamoylamino)cyclohexyl]urea
OPENEYE Name: 1-methyl-3-[4-(methylcarbamoylamino)cyclohexyl]urea
IUPAC Name: 1-methyl-3-[4-(methylcarbamoylamino)cyclohexyl]urea
SYSTEMATIC NAME: 1-methyl-3-[4-(methylcarbamoylamino)cyclohexyl]urea
MOLECULAR FORMULA: C10H20N4O2
MOLECULAR WEIGHT: 228.2914
SMILES: CNC(=O)NC1CCC(CC1)NC(=O)NC
Structure:
CAS RN: 14077-67-9
CAS Name: 1-(2-chloroethyl)-1-nitroso-3-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)urea
OPENEYE Name: 1-(2-chloroethyl)-1-nitroso-3-(1,7,7-trimethylnorbornan-2-yl)urea
IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-1-nitroso-3-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)urea
MOLECULAR FORMULA: C13H22ClN3O2
MOLECULAR WEIGHT: 287.78568
SMILES: CC1(C2CCC1(C(C2)NC(=O)N(CCCl)N=O)C)C
Structure:
CAS RN: 13939-70-3
CAS Name: 1-(2-fluoroethyl)-1-nitroso-3-phenylurea
OPENEYE Name: 1-(2-fluoroethyl)-1-nitroso-3-phenyl-urea
IUPAC Name: 1-(2-fluoroethyl)-1-nitroso-3-phenylurea
SYSTEMATIC NAME: 1-(2-fluoranylethyl)-1-nitroso-3-phenyl-urea
MOLECULAR FORMULA: C9H10FN3O2
MOLECULAR WEIGHT: 211.193003
SMILES: C1=CC=C(C=C1)NC(=O)N(CCF)N=O
Structure:
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