1-[4-[[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]carbonyl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]carbonyl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[2-[[4-(1-isoquinolyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinoline-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[4-[[2-[[4-(1-isoquinolinyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinoline-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[2-[[4-(1-isoquinolyl)piperazino]methyl]-3,4-dihydro-2H-quinoline-1-carbonyl]piperidino]ethanone Formula: C31H37N5O2 MolecularWeight: 511.65778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N2C(CCC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N2C(CCC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C31H37N5O2/c1-23(37)34-16-13-26(14-17-34)31(38)36-27(11-10-25-7-3-5-9-29(25)36)22-33-18-20-35(21-19-33)30-28-8-4-2-6-24(28)12-15-32-30/h2-9,12,15,26-27H,10-11,13-14,16-22H2,1H3