1-(3-chlorophenyl)-4-(2-phenyl-1-piperazin-1-yl-ethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(3-chlorophenyl)-4-(2-phenyl-1-piperazin-1-yl-ethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(3-chlorophenyl)-4-(2-phenyl-1-piperazin-1-yl-ethyl)-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(3-chlorophenyl)-4-[2-phenyl-1-(1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(3-chlorophenyl)-4-(2-phenyl-1-piperazin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(3-chlorophenyl)-4-(2-phenyl-1-piperazino-ethyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C27H28ClN3O MolecularWeight: 445.98372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC2=CC=CC=C2)C3C4=CC=CC=C4C(NC3=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1)C(CC2=CC=CC=C2)C3C4=CC=CC=C4C(NC3=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H28ClN3O/c28-21-10-6-9-20(18-21)26-23-12-5-4-11-22(23)25(27(32)30-26)24(31-15-13-29-14-16-31)17-19-7-2-1-3-8-19/h1-12,18,24-26,29H,13-17H2,(H,30,32)