2-[3-(4-phenylpiperazin-1-yl)propyl]isoquinolin-1-one

Systemtic Name: 2-[3-(4-phenylpiperazin-1-yl)propyl]isoquinolin-1-one Openeye Name: 2-[3-(4-phenylpiperazin-1-yl)propyl]isoquinolin-1-one CAS Name: 2-[3-(4-phenyl-1-piperazinyl)propyl]-1-isoquinolinone IUPAC Name: 2-[3-(4-phenylpiperazin-1-yl)propyl]isoquinolin-1-one Traditional Name: 2-[3-(4-phenylpiperazino)propyl]isocarbostyril Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C=CC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCN2C=CC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c26-22-21-10-5-4-7-19(21)11-14-25(22)13-6-12-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-11,14H,6,12-13,15-18H2