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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(3,4-dimethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carboxamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCC[NH+]4CCCCCC4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCC[NH+]4CCCCCC4)O)C

InChI

InChI=1S/C26H34N4O3/c1-19-12-13-21(18-20(19)2)30-25(32)28-23-11-6-5-10-22(23)26(30,33)24(31)27-14-9-17-29-15-7-3-4-8-16-29/h5-6,10-13,18,33H,3-4,7-9,14-17H2,1-2H3,(H,27,31)(H,28,32)/p+1