N-[3-(azepan-1-ium-1-yl)propyl]-6-bromanyl-3-(3,4-dimethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-bromanyl-3-(3,4-dimethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carboxamide Formula: C26H34BrN4O3+ MolecularWeight: 530.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+]4CCCCCC4)O)C=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+]4CCCCCC4)O)C=C(C=C3)Br)C

InChI

InChI=1S/C26H33BrN4O3/c1-18-8-10-21(16-19(18)2)31-25(33)29-23-11-9-20(27)17-22(23)26(31,34)24(32)28-12-7-15-30-13-5-3-4-6-14-30/h8-11,16-17,34H,3-7,12-15H2,1-2H3,(H,28,32)(H,29,33)/p+1