2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-phenyl-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-phenyl-1,4-dihydroisoquinolin-3-one Openeye Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-phenyl-1,4-dihydroisoquinolin-3-one CAS Name: 2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-1-phenyl-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-phenyl-1,4-dihydroisoquinolin-3-one Traditional Name: 2-[3-[4-(2-methoxyphenyl)piperazino]propyl]-1-phenyl-1,4-dihydroisoquinolin-3-one Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCN3C(C4=CC=CC=C4CC3=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCN3C(C4=CC=CC=C4CC3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O2/c1-34-27-15-8-7-14-26(27)31-20-18-30(19-21-31)16-9-17-32-28(33)22-24-12-5-6-13-25(24)29(32)23-10-3-2-4-11-23/h2-8,10-15,29H,9,16-22H2,1H3