1-(azepan-1-yl)-2-[4-(2-pyridin-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-pyridin-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(2-pyridyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-[2-(2-pyridinyl)-4-quinolinyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(2-pyridyl)quinoline-4-carbonyl]piperazino]ethanone Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C27H31N5O2/c33-26(31-13-7-1-2-8-14-31)20-30-15-17-32(18-16-30)27(34)22-19-25(24-11-5-6-12-28-24)29-23-10-4-3-9-21(22)23/h3-6,9-12,19H,1-2,7-8,13-18,20H2