N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C27H28N6O2 MolecularWeight: 468.55022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C27H28N6O2/c34-26(14-17-33-19-28-24-11-4-3-10-22(24)27(33)35)29-21-9-7-8-20(18-21)23-12-13-25(31-30-23)32-15-5-1-2-6-16-32/h3-4,7-13,18-19H,1-2,5-6,14-17H2,(H,29,34)