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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=CC=CC=C4N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=CC=CC=C4N)C5=CC=CC=C5

InChI

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