2-(phenylmethyl)-5-piperazin-1-yl-isoquinolin-1-one

Systemtic Name: 2-(phenylmethyl)-5-piperazin-1-yl-isoquinolin-1-one Openeye Name: 2-benzyl-5-piperazin-1-yl-isoquinolin-1-one CAS Name: 2-(phenylmethyl)-5-(1-piperazinyl)-1-isoquinolinone IUPAC Name: 2-benzyl-5-piperazin-1-ylisoquinolin-1-one Traditional Name: 2-benzyl-5-piperazino-isocarbostyril Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2C=CN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2C=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O/c24-20-18-7-4-8-19(22-13-10-21-11-14-22)17(18)9-12-23(20)15-16-5-2-1-3-6-16/h1-9,12,21H,10-11,13-15H2