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

Systemtic Name: 2-(3,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(3,4-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(3,4-dimethylphenyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-isoquinolinone IUPAC Name: 2-(3,4-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(3,4-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)isocarbostyril Formula: C28H27N3O2 MolecularWeight: 437.53288

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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)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H27N3O2/c1-20-12-13-23(18-21(20)2)31-19-26(24-10-6-7-11-25(24)28(31)33)27(32)30-16-14-29(15-17-30)22-8-4-3-5-9-22/h3-13,18-19H,14-17H2,1-2H3