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

Systemtic Name: 13-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one Openeye Name: 13-[4-(2-pyridyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one CAS Name: 13-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one IUPAC Name: 13-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one Traditional Name: 13-[4-(2-pyridyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinolin-8-one Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=N5)C6=CC=CC=C61

Isomeric SMILES

C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=N5)C6=CC=CC=C61

InChI

InChI=1S/C27H26N4O2/c32-26-22-10-4-3-9-21(22)24(25-20-8-2-1-7-19(20)12-14-31(25)26)27(33)30-17-15-29(16-18-30)23-11-5-6-13-28-23/h1-11,13,24-25H,12,14-18H2