13-(4-phenylpiperazin-1-yl)carbonyl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one

Systemtic Name: 13-(4-phenylpiperazin-1-yl)carbonyl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one Openeye Name: 13-(4-phenylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one CAS Name: 13-[oxo-(4-phenyl-1-piperazinyl)methyl]-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one IUPAC Name: 13-(4-phenylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one Traditional Name: 13-(4-phenylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinolin-8-one Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C61

Isomeric SMILES

C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C61

InChI

InChI=1S/C28H27N3O2/c32-27-24-13-7-6-12-23(24)25(26-22-11-5-4-8-20(22)14-15-31(26)27)28(33)30-18-16-29(17-19-30)21-9-2-1-3-10-21/h1-13,25-26H,14-19H2