1-[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[2-[[4-(1-isoquinolyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[2-[[4-(1-isoquinolinyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[2-[(4-isoquinolin-1-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[2-[[4-(1-isoquinolyl)piperazino]methyl]-3,4-dihydro-2H-quinolin-1-yl]-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)N1C(CCC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)CC(=O)N1C(CCC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

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