1-[4-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]ethanone

Systemtic Name: 1-[4-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]ethanone Openeye Name: 1-[4-[4-(1-isoquinolyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazine-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[4-[[4-(1-isoquinolinyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[4-(1-isoquinolyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazine-1-carbonyl]piperidino]ethanone Formula: C31H37N5O2 MolecularWeight: 511.65778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2CC3CCC4=CC=CC=C4N3)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2CC3CCC4=CC=CC=C4N3)C5=NC=CC6=CC=CC=C65

InChI

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