2-[2-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-quinazolin-3-yl]acetamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C17H22N4O2/c18-15(22)11-21-16(12-20-9-5-1-2-6-10-20)19-14-8-4-3-7-13(14)17(21)23/h3-4,7-8H,1-2,5-6,9-12H2,(H2,18,22)/p+1