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

Systemtic Name: 1-(4-aminophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(4-aminophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(4-aminophenyl)-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(4-aminophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(4-aminophenyl)-4-[2-(4-phenylpiperazino)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Formula: C27H30N4O MolecularWeight: 426.5533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=CC=C(C=C4)N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=CC=C(C=C4)N)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c28-21-12-10-20(11-13-21)26-24-9-5-4-8-23(24)25(27(32)29-26)14-15-30-16-18-31(19-17-30)22-6-2-1-3-7-22/h1-13,25-26H,14-19,28H2,(H,29,32)