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

Systemtic Name: 1-(3-azanyl-4-chloranyl-phenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(3-amino-4-chloro-phenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(3-amino-4-chlorophenyl)-4-[2-(4-methyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(3-amino-4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(3-amino-4-chloro-phenyl)-4-[2-(4-methylpiperazino)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Formula: C22H27ClN4O MolecularWeight: 398.92898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O/c1-26-10-12-27(13-11-26)9-8-18-16-4-2-3-5-17(16)21(25-22(18)28)15-6-7-19(23)20(24)14-15/h2-7,14,18,21H,8-13,24H2,1H3,(H,25,28)