4-(azepan-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride

Systemtic Name: 4-(azepan-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride Openeye Name: 4-(azepan-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride CAS Name: 4-(1-azepanyl)-2-(4-nitrophenyl)quinazoline hydrochloride IUPAC Name: 4-(azepan-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride Traditional Name: 4-(azepan-1-yl)-2-(4-nitrophenyl)quinazoline hydrochloride Formula: C20H21ClN4O2 MolecularWeight: 384.85934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H20N4O2.ClH/c25-24(26)16-11-9-15(10-12-16)19-21-18-8-4-3-7-17(18)20(22-19)23-13-5-1-2-6-14-23;/h3-4,7-12H,1-2,5-6,13-14H2;1H