2-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(3,4-dimethylphenyl)-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(3,4-dimethylphenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(3,4-dimethylphenyl)-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(3,4-dimethylphenyl)-4-(4-methylpiperazine-1-carbonyl)isocarbostyril Formula: C23H25N3O2 MolecularWeight: 375.4635

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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)N4CCN(CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C)C

InChI

InChI=1S/C23H25N3O2/c1-16-8-9-18(14-17(16)2)26-15-21(19-6-4-5-7-20(19)23(26)28)22(27)25-12-10-24(3)11-13-25/h4-9,14-15H,10-13H2,1-3H3