N-[3-[[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide

Systemtic Name: N-[3-[[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide Openeye Name: N-[3-[[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide CAS Name: N-[3-[[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[3-[[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide Traditional Name: N-[3-[[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H23N5O3/c28-20(11-12-27-22(30)18-9-1-2-10-19(18)25-26-27)23-14-15-5-3-8-17(13-15)24-21(29)16-6-4-7-16/h1-3,5,8-10,13,16H,4,6-7,11-12,14H2,(H,23,28)(H,24,29)