2-[4-[4-(4-oxidanylidenequinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[4-(4-oxidanylidenequinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[4-(4-oxoquinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[4-(4-oxoquinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[4-(4-ketoquinazolin-3-yl)butanoyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N5O3/c30-22(26-19-7-2-1-3-8-19)17-27-13-15-28(16-14-27)23(31)11-6-12-29-18-25-21-10-5-4-9-20(21)24(29)32/h1-5,7-10,18H,6,11-17H2,(H,26,30)/p+1