CAS RN: 5044-40-6
CAS Name: N,N-dimethyl-4-(1-pyrrolyl)aniline
OPENEYE Name: N,N-dimethyl-4-pyrrol-1-yl-aniline
IUPAC Name: N,N-dimethyl-4-pyrrol-1-ylaniline
SYSTEMATIC NAME: N,N-dimethyl-4-pyrrol-1-yl-aniline
MOLECULAR FORMULA: C12H14N2
MOLECULAR WEIGHT: 186.25296
SMILES: CN(C)C1=CC=C(C=C1)N2C=CC=C2
Structure:
CAS RN: 827-60-1
CAS Name: 1-(4-methylphenyl)pyrrole
OPENEYE Name: 1-(p-tolyl)pyrrole
IUPAC Name: 1-(4-methylphenyl)pyrrole
SYSTEMATIC NAME: 1-(4-methylphenyl)pyrrole
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: CC1=CC=C(C=C1)N2C=CC=C2
Structure:
CAS RN: 5044-38-2
CAS Name: 1-(4-chlorophenyl)pyrrole
OPENEYE Name: 1-(4-chlorophenyl)pyrrole
IUPAC Name: 1-(4-chlorophenyl)pyrrole
SYSTEMATIC NAME: 1-(4-chlorophenyl)pyrrole
MOLECULAR FORMULA: C10H8ClN
MOLECULAR WEIGHT: 177.63022
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 50789-46-3
CAS Name: 1-(4-chlorophenyl)pyrrole
OPENEYE Name: 1-(4-chlorophenyl)pyrrole
IUPAC Name: 1-(4-chlorophenyl)pyrrole
SYSTEMATIC NAME: 1-(4-chlorophenyl)pyrrole
MOLECULAR FORMULA: C10H8ClN
MOLECULAR WEIGHT: 177.63022
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 23351-07-7
CAS Name: 4-(1-pyrrolyl)benzonitrile
OPENEYE Name: 4-pyrrol-1-ylbenzonitrile
IUPAC Name: 4-pyrrol-1-ylbenzonitrile
SYSTEMATIC NAME: 4-pyrrol-1-ylbenzenecarbonitrile
MOLECULAR FORMULA: C11H8N2
MOLECULAR WEIGHT: 168.19462
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)C#N
Structure:
CAS RN: 41910-45-6
CAS Name: 1-(3-chlorophenyl)pyrrole
OPENEYE Name: 1-(3-chlorophenyl)pyrrole
IUPAC Name: 1-(3-chlorophenyl)pyrrole
SYSTEMATIC NAME: 1-(3-chlorophenyl)pyrrole
MOLECULAR FORMULA: C10H8ClN
MOLECULAR WEIGHT: 177.63022
SMILES: C1=CN(C=C1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 4234-23-5
CAS Name: 1-(3-chlorophenyl)pyrrole
OPENEYE Name: 1-(3-chlorophenyl)pyrrole
IUPAC Name: 1-(3-chlorophenyl)pyrrole
SYSTEMATIC NAME: 1-(3-chlorophenyl)pyrrole
MOLECULAR FORMULA: C10H8ClN
MOLECULAR WEIGHT: 177.63022
SMILES: C1=CN(C=C1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 2437-43-6
CAS Name: 1-(3-methylphenyl)pyrrole
OPENEYE Name: 1-(m-tolyl)pyrrole
IUPAC Name: 1-(3-methylphenyl)pyrrole
SYSTEMATIC NAME: 1-(3-methylphenyl)pyrrole
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: CC1=CC(=CC=C1)N2C=CC=C2
Structure:
CAS RN: 2449-19-6
CAS Name: 1-(3-methylphenyl)pyrrole
OPENEYE Name: 1-(m-tolyl)pyrrole
IUPAC Name: 1-(3-methylphenyl)pyrrole
SYSTEMATIC NAME: 1-(3-methylphenyl)pyrrole
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: CC1=CC(=CC=C1)N2C=CC=C2
Structure:
CAS RN: 670-04-2
CAS Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-1,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O9
MOLECULAR WEIGHT: 550.68084
SMILES: CC1C(C(C(C(O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O
Structure:
CAS RN: 663-95-6
CAS Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-1,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O9
MOLECULAR WEIGHT: 550.68084
SMILES: CC1C(C(C(C(O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O
Structure:
CAS RN: 34362-37-3
CAS Name: 1-(7-nitro-9H-fluoren-2-yl)ethanone
OPENEYE Name: 1-(7-nitro-9H-fluoren-2-yl)ethanone
IUPAC Name: 1-(7-nitro-9H-fluoren-2-yl)ethanone
SYSTEMATIC NAME: 1-(7-nitro-9H-fluoren-2-yl)ethanone
MOLECULAR FORMULA: C15H11NO3
MOLECULAR WEIGHT: 253.25274
SMILES: CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 2199-90-8
CAS Name: 2,3-dibromo-7-nitro-9-fluorenone
OPENEYE Name: 2,3-dibromo-7-nitro-fluoren-9-one
IUPAC Name: 2,3-dibromo-7-nitrofluoren-9-one
SYSTEMATIC NAME: 2,3-bis(bromanyl)-7-nitro-fluoren-9-one
MOLECULAR FORMULA: C13H5Br2NO3
MOLECULAR WEIGHT: 382.9917
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=C(C=C23)Br)Br
Structure:
CAS RN: 13958-13-9
CAS Name: 5-ethoxy-2-nitrosophenol
OPENEYE Name: 5-ethoxy-2-nitroso-phenol
IUPAC Name: 5-ethoxy-2-nitrosophenol
SYSTEMATIC NAME: 5-ethoxy-2-nitroso-phenol
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CCOC1=CC(=C(C=C1)N=O)O
Structure:
CAS RN: 35181-52-3
CAS Name: 2-(1-benzoyl-2H-quinolin-2-yl)-1-phenylethanone
OPENEYE Name: 2-(1-benzoyl-2H-quinolin-2-yl)-1-phenyl-ethanone
IUPAC Name: 2-(1-benzoyl-2H-quinolin-2-yl)-1-phenylethanone
SYSTEMATIC NAME: 1-phenyl-2-[1-(phenylcarbonyl)-2H-quinolin-2-yl]ethanone
MOLECULAR FORMULA: C24H19NO2
MOLECULAR WEIGHT: 353.41316
SMILES: C1=CC=C(C=C1)C(=O)CC2C=CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4
Structure:
CAS RN: 13226-13-6
CAS Name: 1-(4-nitroso-5-phenyl-1H-pyrrol-2-yl)isoquinoline
OPENEYE Name: 1-(4-nitroso-5-phenyl-1H-pyrrol-2-yl)isoquinoline
IUPAC Name: 1-(4-nitroso-5-phenyl-1H-pyrrol-2-yl)isoquinoline
SYSTEMATIC NAME: 1-(4-nitroso-5-phenyl-1H-pyrrol-2-yl)isoquinoline
MOLECULAR FORMULA: C19H13N3O
MOLECULAR WEIGHT: 299.32602
SMILES: C1=CC=C(C=C1)C2=C(C=C(N2)C3=NC=CC4=CC=CC=C43)N=O
Structure:
CAS RN: 13226-11-4
CAS Name: 2-(1-isoquinolinyl)-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
OPENEYE Name: 2-(1-isoquinolyl)-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
IUPAC Name: 2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
SYSTEMATIC NAME: 2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C20H14N2O5S
MOLECULAR WEIGHT: 394.40056
SMILES: C1=CC=C(C=C1)C2=C(C(=C(N2)C3=NC=CC4=CC=CC=C43)C(=O)O)S(=O)(=O)O
Structure:
CAS RN: 16662-87-6
CAS Name: 2-benzoyl-1-methyl-1-isoquinolinecarbonitrile
OPENEYE Name: 2-benzoyl-1-methyl-isoquinoline-1-carbonitrile
IUPAC Name: 2-benzoyl-1-methylisoquinoline-1-carbonitrile
SYSTEMATIC NAME: 1-methyl-2-(phenylcarbonyl)isoquinoline-1-carbonitrile
MOLECULAR FORMULA: C18H14N2O
MOLECULAR WEIGHT: 274.31656
SMILES: CC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N
Structure:
CAS RN: 13252-15-8
CAS Name: 1-(5-phenyl-1H-pyrrol-2-yl)isoquinoline
OPENEYE Name: 1-(5-phenyl-1H-pyrrol-2-yl)isoquinoline
IUPAC Name: 1-(5-phenyl-1H-pyrrol-2-yl)isoquinoline
SYSTEMATIC NAME: 1-(5-phenyl-1H-pyrrol-2-yl)isoquinoline
MOLECULAR FORMULA: C19H14N2
MOLECULAR WEIGHT: 270.32786
SMILES: C1=CC=C(C=C1)C2=CC=C(N2)C3=NC=CC4=CC=CC=C43
Structure:
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