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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-bromanyl-3-(4-chlorophenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carboxamide Formula: C24H29BrClN4O3+ MolecularWeight: 536.86906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrClN4O3/c25-17-6-11-21-20(16-17)24(33,30(23(32)28-21)19-9-7-18(26)8-10-19)22(31)27-12-5-15-29-13-3-1-2-4-14-29/h6-11,16,33H,1-5,12-15H2,(H,27,31)(H,28,32)/p+1