2-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-isoquinolin-1-one Openeye Name: 2-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-isoquinolin-1-one CAS Name: 2-[2-(4-methyl-1-piperazinyl)ethyl]-4-phenyl-1-isoquinolinone IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenylisoquinolin-1-one Traditional Name: 2-[2-(4-methylpiperazino)ethyl]-4-phenyl-isocarbostyril Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-23-11-13-24(14-12-23)15-16-25-17-21(18-7-3-2-4-8-18)19-9-5-6-10-20(19)22(25)26/h2-10,17H,11-16H2,1H3