1-(2-azanyl-6-chloranyl-phenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(2-azanyl-6-chloranyl-phenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(2-amino-6-chloro-phenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(2-amino-6-chlorophenyl)-4-[2-(4-methyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(2-amino-6-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-amino-6-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=C(C=CC=C4Cl)N

Isomeric SMILES

CN1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC=C4Cl)N

InChI

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