CAS RN: 59997-19-2
CAS Name: 10-butylpyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 10-butylpyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 10-butylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-butylpyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CCCCN1C2=CC=CC=C2C=C3C1=NC(=O)NC3=O
Structure:
CAS RN: 59997-18-1
CAS Name: 10-propylpyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 10-propylpyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 10-propylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-propylpyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C14H13N3O2
MOLECULAR WEIGHT: 255.27192
SMILES: CCCN1C2=CC=CC=C2C=C3C1=NC(=O)NC3=O
Structure:
CAS RN: 59997-17-0
CAS Name: 10-ethylpyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 10-ethylpyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 10-ethylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-ethylpyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C13H11N3O2
MOLECULAR WEIGHT: 241.24534
SMILES: CCN1C2=CC=CC=C2C=C3C1=NC(=O)NC3=O
Structure:
CAS RN: 59997-16-9
CAS Name: 10-butyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 10-butyl-3-methyl-pyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 10-butyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-butyl-3-methyl-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: CCCCN1C2=CC=CC=C2C=C3C1=NC(=O)N(C3=O)C
Structure:
CAS RN: 59997-15-8
CAS Name: 3-methyl-10-propylpyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 3-methyl-10-propyl-pyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 3-methyl-10-propylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 3-methyl-10-propyl-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CCCN1C2=CC=CC=C2C=C3C1=NC(=O)N(C3=O)C
Structure:
CAS RN: 59997-14-7
CAS Name: 10-ethyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 10-ethyl-3-methyl-pyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 10-ethyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-ethyl-3-methyl-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C14H13N3O2
MOLECULAR WEIGHT: 255.27192
SMILES: CCN1C2=CC=CC=C2C=C3C1=NC(=O)N(C3=O)C
Structure:
CAS RN: 4455-75-8
CAS Name: [2-methylprop-2-enyl(phenyl)phosphoryl]benzene
OPENEYE Name: [2-methylallyl(phenyl)phosphoryl]benzene
IUPAC Name: [2-methylprop-2-enyl(phenyl)phosphoryl]benzene
SYSTEMATIC NAME: [2-methylprop-2-enyl(phenyl)phosphoryl]benzene
MOLECULAR FORMULA: C16H17OP
MOLECULAR WEIGHT: 256.279341
SMILES: CC(=C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 59292-71-6
CAS Name: 4-hydroxy-5-benzofurancarboxaldehyde
OPENEYE Name: 4-hydroxybenzofuran-5-carbaldehyde
IUPAC Name: 4-hydroxy-1-benzofuran-5-carbaldehyde
SYSTEMATIC NAME: 4-oxidanyl-1-benzofuran-5-carbaldehyde
MOLECULAR FORMULA: C9H6O3
MOLECULAR WEIGHT: 162.14214
SMILES: C1=CC2=C(C=CO2)C(=C1C=O)O
Structure:
CAS RN: 88594-38-1
CAS Name: 8-bromo-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxoethyl]purine-2,6-dione
OPENEYE Name: 8-bromo-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxo-ethyl]purine-2,6-dione
IUPAC Name: 8-bromo-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxoethyl]purine-2,6-dione
SYSTEMATIC NAME: 8-bromanyl-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione
MOLECULAR FORMULA: C15H12BrN5O5
MOLECULAR WEIGHT: 422.19028
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 1604-79-1
CAS Name: 8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
OPENEYE Name: 8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
IUPAC Name: 8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
SYSTEMATIC NAME: 8-chloranyl-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
MOLECULAR FORMULA: C14H12ClN5O4
MOLECULAR WEIGHT: 349.72918
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 15937-81-2
CAS Name: 2-[3-(2-pyridinyl)propyl]pyridine
OPENEYE Name: 2-[3-(2-pyridyl)propyl]pyridine
IUPAC Name: 2-(3-pyridin-2-ylpropyl)pyridine
SYSTEMATIC NAME: 2-(3-pyridin-2-ylpropyl)pyridine
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: C1=CC=NC(=C1)CCCC2=CC=CC=N2
Structure:
CAS RN: 59576-33-9
CAS Name: 2-(2-pyridinyl)-1-(3-pyridinyl)ethanone
OPENEYE Name: 2-(2-pyridyl)-1-(3-pyridyl)ethanone
IUPAC Name: 2-pyridin-2-yl-1-pyridin-3-ylethanone
SYSTEMATIC NAME: 2-pyridin-2-yl-1-pyridin-3-yl-ethanone
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1=CC=NC(=C1)CC(=O)C2=CN=CC=C2
Structure:
CAS RN: 21191-28-6
CAS Name: N-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]carbamate
IUPAC Name: ethyl N-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]carbamate
SYSTEMATIC NAME: ethyl N-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]carbamate
MOLECULAR FORMULA: C14H20N2O5
MOLECULAR WEIGHT: 296.319
SMILES: CCOC(=O)NC(C1=CC=C(C=C1)OC)NC(=O)OCC
Structure:
CAS RN: 899-69-4
CAS Name: N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate
IUPAC Name: ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate
SYSTEMATIC NAME: ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate
MOLECULAR FORMULA: C13H17N3O6
MOLECULAR WEIGHT: 311.29058
SMILES: CCOC(=O)NC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)OCC
Structure:
CAS RN: 43044-14-0
CAS Name: N-[(ethoxycarbonylamino)-(4-nitrophenyl)methyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(ethoxycarbonylamino)-(4-nitrophenyl)methyl]carbamate
IUPAC Name: ethyl N-[(ethoxycarbonylamino)-(4-nitrophenyl)methyl]carbamate
SYSTEMATIC NAME: ethyl N-[(ethoxycarbonylamino)-(4-nitrophenyl)methyl]carbamate
MOLECULAR FORMULA: C13H17N3O6
MOLECULAR WEIGHT: 311.29058
SMILES: CCOC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC
Structure:
CAS RN: 69703-41-9
CAS Name: 3-(4,4-dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile
OPENEYE Name: 3-(1-allyl-4,4-dimethyl-2,6-dioxo-cyclohexyl)propanenitrile
IUPAC Name: 3-(4,4-dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile
SYSTEMATIC NAME: 3-[4,4-dimethyl-2,6-bis(oxidanylidene)-1-prop-2-enyl-cyclohexyl]propanenitrile
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CC1(CC(=O)C(C(=O)C1)(CCC#N)CC=C)C
Structure:
CAS RN: 58622-50-7
CAS Name: 3-(1,4,4-trimethyl-2,6-dioxocyclohexyl)propanenitrile
OPENEYE Name: 3-(1,4,4-trimethyl-2,6-dioxo-cyclohexyl)propanenitrile
IUPAC Name: 3-(1,4,4-trimethyl-2,6-dioxocyclohexyl)propanenitrile
SYSTEMATIC NAME: 3-[1,4,4-trimethyl-2,6-bis(oxidanylidene)cyclohexyl]propanenitrile
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1(CC(=O)C(C(=O)C1)(C)CCC#N)C
Structure:
CAS RN: 42899-31-0
CAS Name: 1-(3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyridin-1-yl)ethanone
OPENEYE Name: 1-(3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyridin-1-yl)ethanone
IUPAC Name: 1-(3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyridin-1-yl)ethanone
SYSTEMATIC NAME: 1-(3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyridin-1-yl)ethanone
MOLECULAR FORMULA: C17H29NO
MOLECULAR WEIGHT: 263.41826
SMILES: CC(=O)N1CCCC2=C1CCCCCCCCCC2
Structure:
CAS RN: 42899-30-9
CAS Name: 1-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanone
OPENEYE Name: 1-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanone
IUPAC Name: 1-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanone
SYSTEMATIC NAME: 1-(2,3,4,5,6,7,8,9-octahydrocyclohepta[b]pyridin-1-yl)ethanone
MOLECULAR FORMULA: C12H19NO
MOLECULAR WEIGHT: 193.28536
SMILES: CC(=O)N1CCCC2=C1CCCCC2
Structure:
CAS RN: 42899-29-6
CAS Name: 1-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)ethanone
OPENEYE Name: 1-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)ethanone
IUPAC Name: 1-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)ethanone
SYSTEMATIC NAME: 1-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)ethanone
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CC(=O)N1CCCC2=C1CCCC2
Structure:
CAS RN: 71866-22-3
CAS Name: 1-(2,3,4,5,6,7-hexahydrocyclopenta[b]pyridin-1-yl)ethanone
OPENEYE Name: 1-(2,3,4,5,6,7-hexahydrocyclopenta[b]pyridin-1-yl)ethanone
IUPAC Name: 1-(2,3,4,5,6,7-hexahydrocyclopenta[b]pyridin-1-yl)ethanone
SYSTEMATIC NAME: 1-(2,3,4,5,6,7-hexahydrocyclopenta[b]pyridin-1-yl)ethanone
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC(=O)N1CCCC2=C1CCC2
Structure:
CAS RN: 70400-80-5
CAS Name: 2-(6,7-dimethoxy-1-isoquinolinyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
OPENEYE Name: 2-(6,7-dimethoxy-1-isoquinolyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
IUPAC Name: 2-(6,7-dimethoxyisoquinolin-1-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
SYSTEMATIC NAME: 2-(6,7-dimethoxyisoquinolin-1-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
MOLECULAR FORMULA: C26H30N2O5
MOLECULAR WEIGHT: 450.5268
SMILES: COC1=C(C=C2C3CC(CCN3CCC2=C1)(C4=NC=CC5=CC(=C(C=C54)OC)OC)O)OC
Structure:
CAS RN: 63252-09-5
CAS Name: 4-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl 4-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl 2-ethyl-4-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,5,7,12-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C28H30O12
MOLECULAR WEIGHT: 558.5306
SMILES: CCC1(CC(C2=C(C3=C(C(=C2C1C(=O)OC)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)O)O
Structure:
CAS RN: 66948-21-8
CAS Name: 1-(2-cyanocyclohexyl)-2-(1-isoquinolinylmethyl)-1-cyclohexanecarbonitrile
OPENEYE Name: 1-(2-cyanocyclohexyl)-2-(1-isoquinolylmethyl)cyclohexanecarbonitrile
IUPAC Name: 1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile
SYSTEMATIC NAME: 1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile
MOLECULAR FORMULA: C24H27N3
MOLECULAR WEIGHT: 357.49128
SMILES: C1CCC(C(C1)C#N)C2(CCCCC2CC3=NC=CC4=CC=CC=C43)C#N
Structure:
CAS RN: 66948-20-7
CAS Name: 3-hydroxy-3-(1-isoquinolinylmethyl)-1-methyl-2-indolone
OPENEYE Name: 3-hydroxy-3-(1-isoquinolylmethyl)-1-methyl-indolin-2-one
IUPAC Name: 3-hydroxy-3-(isoquinolin-1-ylmethyl)-1-methylindol-2-one
SYSTEMATIC NAME: 3-(isoquinolin-1-ylmethyl)-1-methyl-3-oxidanyl-indol-2-one
MOLECULAR FORMULA: C19H16N2O2
MOLECULAR WEIGHT: 304.34254
SMILES: CN1C2=CC=CC=C2C(C1=O)(CC3=NC=CC4=CC=CC=C43)O
Structure:
CAS RN: 59483-80-6
CAS Name: 4-[2-(4-chlorophenyl)-2-hydroxyethyl]benzonitrile
OPENEYE Name: 4-[2-(4-chlorophenyl)-2-hydroxy-ethyl]benzonitrile
IUPAC Name: 4-[2-(4-chlorophenyl)-2-hydroxyethyl]benzonitrile
SYSTEMATIC NAME: 4-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H12ClNO
MOLECULAR WEIGHT: 257.71488
SMILES: C1=CC(=CC=C1CC(C2=CC=C(C=C2)Cl)O)C#N
Structure:
CAS RN: 59483-75-9
CAS Name: 3-[2-hydroxy-2-(1-naphthalenyl)-2-phenylethyl]benzonitrile
OPENEYE Name: 3-[2-hydroxy-2-(1-naphthyl)-2-phenyl-ethyl]benzonitrile
IUPAC Name: 3-(2-hydroxy-2-naphthalen-1-yl-2-phenylethyl)benzonitrile
SYSTEMATIC NAME: 3-(2-naphthalen-1-yl-2-oxidanyl-2-phenyl-ethyl)benzenecarbonitrile
MOLECULAR FORMULA: C25H19NO
MOLECULAR WEIGHT: 349.42446
SMILES: C1=CC=C(C=C1)C(CC2=CC=CC(=C2)C#N)(C3=CC=CC4=CC=CC=C43)O
Structure:
CAS RN: 59483-76-0
CAS Name: 3-[2,2-bis[4-(dimethylamino)phenyl]-2-hydroxyethyl]benzonitrile
OPENEYE Name: 3-[2,2-bis[4-(dimethylamino)phenyl]-2-hydroxy-ethyl]benzonitrile
IUPAC Name: 3-[2,2-bis[4-(dimethylamino)phenyl]-2-hydroxyethyl]benzonitrile
SYSTEMATIC NAME: 3-[2,2-bis[4-(dimethylamino)phenyl]-2-oxidanyl-ethyl]benzenecarbonitrile
MOLECULAR FORMULA: C25H27N3O
MOLECULAR WEIGHT: 385.50138
SMILES: CN(C)C1=CC=C(C=C1)C(CC2=CC=CC(=C2)C#N)(C3=CC=C(C=C3)N(C)C)O
Structure:
CAS RN: 59483-74-8
CAS Name: 3-(2-hydroxy-2,2-diphenylethyl)benzonitrile
OPENEYE Name: 3-(2-hydroxy-2,2-diphenyl-ethyl)benzonitrile
IUPAC Name: 3-(2-hydroxy-2,2-diphenylethyl)benzonitrile
SYSTEMATIC NAME: 3-(2-oxidanyl-2,2-diphenyl-ethyl)benzenecarbonitrile
MOLECULAR FORMULA: C21H17NO
MOLECULAR WEIGHT: 299.36578
SMILES: C1=CC=C(C=C1)C(CC2=CC=CC(=C2)C#N)(C3=CC=CC=C3)O
Structure:
CAS RN: 59483-72-6
CAS Name: 3-[2-(3-methylphenyl)-2-oxoethyl]benzonitrile
OPENEYE Name: 3-[2-(m-tolyl)-2-oxo-ethyl]benzonitrile
IUPAC Name: 3-[2-(3-methylphenyl)-2-oxoethyl]benzonitrile
SYSTEMATIC NAME: 3-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]benzenecarbonitrile
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: CC1=CC=CC(=C1)C(=O)CC2=CC=CC(=C2)C#N
Structure:
CAS RN: 57758-67-5
CAS Name: 1-(1-naphthalenyl)-1-phenyl-2-(3-pyridinyl)ethanol
OPENEYE Name: 1-(1-naphthyl)-1-phenyl-2-(3-pyridyl)ethanol
IUPAC Name: 1-naphthalen-1-yl-1-phenyl-2-pyridin-3-ylethanol
SYSTEMATIC NAME: 1-naphthalen-1-yl-1-phenyl-2-pyridin-3-yl-ethanol
MOLECULAR FORMULA: C23H19NO
MOLECULAR WEIGHT: 325.40306
SMILES: C1=CC=C(C=C1)C(CC2=CN=CC=C2)(C3=CC=CC4=CC=CC=C43)O
Structure:
CAS RN: 57758-68-6
CAS Name: 1-(4-chlorophenyl)-1-phenyl-2-(3-pyridinyl)ethanol
OPENEYE Name: 1-(4-chlorophenyl)-1-phenyl-2-(3-pyridyl)ethanol
IUPAC Name: 1-(4-chlorophenyl)-1-phenyl-2-pyridin-3-ylethanol
SYSTEMATIC NAME: 1-(4-chlorophenyl)-1-phenyl-2-pyridin-3-yl-ethanol
MOLECULAR FORMULA: C19H16ClNO
MOLECULAR WEIGHT: 309.78944
SMILES: C1=CC=C(C=C1)C(CC2=CN=CC=C2)(C3=CC=C(C=C3)Cl)O
Structure:
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