1-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(1-isoquinolyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(1-isoquinolinyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-isoquinolin-1-yl-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(1-isoquinolyl)-2-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)piperazino]-3,3-dimethyl-butan-1-one Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1CC2CCC3=CC=CC=C3N2)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1CC2CCC3=CC=CC=C3N2)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C29H36N4O/c1-29(2,3)19-27(34)33-17-16-32(28-25-10-6-4-8-21(25)14-15-30-28)20-24(33)18-23-13-12-22-9-5-7-11-26(22)31-23/h4-11,14-15,23-24,31H,12-13,16-20H2,1-3H3