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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-chlorophenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-chlorophenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carboxamide Formula: C24H30ClN4O3+ MolecularWeight: 457.973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2(C3=CC=CC=C3NC(=O)N2C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2(C3=CC=CC=C3NC(=O)N2C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C24H29ClN4O3/c25-18-10-12-19(13-11-18)29-23(31)27-21-9-4-3-8-20(21)24(29,32)22(30)26-14-7-17-28-15-5-1-2-6-16-28/h3-4,8-13,32H,1-2,5-7,14-17H2,(H,26,30)(H,27,31)/p+1