3-(1H-indol-3-yl)-2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(1H-indol-3-yl)-2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(1H-indol-3-yl)-2-methyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 3-(1H-indol-3-yl)-2-methyl-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(1H-indol-3-yl)-2-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(1H-indol-3-yl)-2-methyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C28H27N5O2 MolecularWeight: 465.54628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CNC6=CC=CC=C65

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H27N5O2/c1-31-26(22-18-30-23-11-5-4-8-19(22)23)25(20-9-2-3-10-21(20)27(31)34)28(35)33-16-14-32(15-17-33)24-12-6-7-13-29-24/h2-13,18,25-26,30H,14-17H2,1H3