1-(azepan-1-yl)-2-phenyl-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-phenyl-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-one Openeye Name: 1-(azepan-1-yl)-2-phenyl-4-[4-(8-quinolyl)piperazin-1-yl]butan-1-one CAS Name: 1-(1-azepanyl)-2-phenyl-4-[4-(8-quinolinyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-2-phenyl-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-one Traditional Name: 1-(azepan-1-yl)-2-phenyl-4-[4-(8-quinolyl)piperazino]butan-1-one Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H36N4O/c34-29(33-17-6-1-2-7-18-33)26(24-10-4-3-5-11-24)15-19-31-20-22-32(23-21-31)27-14-8-12-25-13-9-16-30-28(25)27/h3-5,8-14,16,26H,1-2,6-7,15,17-23H2