2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoquinolin-1-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-isoquinolinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-(4-benzylpiperazino)-2-keto-ethyl]isocarbostyril Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O2/c26-21(17-25-11-10-19-8-4-5-9-20(19)22(25)27)24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-11H,12-17H2