1-(azepan-1-yl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(2-pyridin-4-yl-4-quinazolinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazino]ethanone Formula: C25H30N6O MolecularWeight: 430.5453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O/c32-23(30-13-5-1-2-6-14-30)19-29-15-17-31(18-16-29)25-21-7-3-4-8-22(21)27-24(28-25)20-9-11-26-12-10-20/h3-4,7-12H,1-2,5-6,13-19H2