2-(3,4-dimethylphenyl)-4-pyrrolidin-1-ylcarbonyl-isoquinolin-1-one

Systemtic Name: 2-(3,4-dimethylphenyl)-4-pyrrolidin-1-ylcarbonyl-isoquinolin-1-one Openeye Name: 2-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(3,4-dimethylphenyl)-4-[oxo(1-pyrrolidinyl)methyl]-1-isoquinolinone IUPAC Name: 2-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)isocarbostyril Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCCC4)C

InChI

InChI=1S/C22H22N2O2/c1-15-9-10-17(13-16(15)2)24-14-20(21(25)23-11-5-6-12-23)18-7-3-4-8-19(18)22(24)26/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3