2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-3,4-dihydroisoquinolin-1-one CAS Name: 2-[2-[4-(4-chlorophenyl)-1-piperazinyl]ethyl]-7-methoxy-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[2-[4-(4-chlorophenyl)piperazino]ethyl]-7-methoxy-3,4-dihydroisocarbostyril Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCN(C2=O)CCN3CCN(CC3)C4=CC=C(C=C4)Cl)C=C1

Isomeric SMILES

COC1=CC2=C(CCN(C2=O)CCN3CCN(CC3)C4=CC=C(C=C4)Cl)C=C1

InChI

InChI=1S/C22H26ClN3O2/c1-28-20-7-2-17-8-9-26(22(27)21(17)16-20)15-12-24-10-13-25(14-11-24)19-5-3-18(23)4-6-19/h2-7,16H,8-15H2,1H3