1-(3-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(3-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(3-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(3-chlorophenyl)-4-[2-(4-methyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(3-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(3-chlorophenyl)-4-[2-(4-methylpiperazino)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Formula: C22H26ClN3O MolecularWeight: 383.91434

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H26ClN3O/c1-25-11-13-26(14-12-25)10-9-20-18-7-2-3-8-19(18)21(24-22(20)27)16-5-4-6-17(23)15-16/h2-8,15,20-21H,9-14H2,1H3,(H,24,27)