N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-hydroxy-2-keto-3-p-phenetyl-1H-quinazoline-4-carboxamide Formula: C26H35N4O4+ MolecularWeight: 467.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCC[NH+]4CCCCCC4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCC[NH+]4CCCCCC4)O

InChI

InChI=1S/C26H34N4O4/c1-2-34-21-14-12-20(13-15-21)30-25(32)28-23-11-6-5-10-22(23)26(30,33)24(31)27-16-9-19-29-17-7-3-4-8-18-29/h5-6,10-15,33H,2-4,7-9,16-19H2,1H3,(H,27,31)(H,28,32)/p+1