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

Systemtic Name: 1-(2-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(2-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(2-aminophenyl)-4-[2-(4-methyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(2-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-aminophenyl)-4-[2-(4-methylpiperazino)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC=CC=C4N

Isomeric SMILES

CN1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC=CC=C4N

InChI

InChI=1S/C22H28N4O/c1-25-12-14-26(15-13-25)11-10-18-16-6-2-3-7-17(16)21(24-22(18)27)19-8-4-5-9-20(19)23/h2-9,18,21H,10-15,23H2,1H3,(H,24,27)