N-[2-(azepan-1-yl)phenyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-(6-bromo-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-(6-bromo-4-keto-quinazolin-3-yl)propionamide Formula: C23H25BrN4O2 MolecularWeight: 469.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C23H25BrN4O2/c24-17-9-10-19-18(15-17)23(30)28(16-25-19)14-11-22(29)26-20-7-3-4-8-21(20)27-12-5-1-2-6-13-27/h3-4,7-10,15-16H,1-2,5-6,11-14H2,(H,26,29)