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

Systemtic Name: 1-(4-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(4-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(4-aminophenyl)-4-[2-(4-methyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(4-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(4-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=C(C=C4)N

Isomeric SMILES

CN1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC=C(C=C4)N

InChI

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