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

Systemtic Name: N-[3-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]phenyl]nicotinamide Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NC3=CC=CC(=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H18N6O3/c29-20(10-12-28-22(31)18-8-1-2-9-19(18)26-27-28)24-16-6-3-7-17(13-16)25-21(30)15-5-4-11-23-14-15/h1-9,11,13-14H,10,12H2,(H,24,29)(H,25,30)