2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-isoquinolin-1-one

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-isoquinolin-1-one Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-methyl-isoquinolin-1-one CAS Name: 2-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-3-methyl-1-isoquinolinone IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one Traditional Name: 2-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-3-methyl-isocarbostyril Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c1-16-13-17-5-2-3-8-20(17)22(28)26(16)15-21(27)25-11-9-24(10-12-25)19-7-4-6-18(23)14-19/h2-8,13-14H,9-12,15H2,1H3