2-oxidanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-quinoline-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-quinoline-3-carboxamide Openeye Name: 2-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-quinoline-3-carboxamide CAS Name: 2-oxo-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1H-quinoline-3-carboxamide IUPAC Name: 2-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-quinoline-3-carboxamide Traditional Name: 2-keto-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-quinoline-3-carboxamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3NC2=O)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3NC2=O)N4C=NC=N4

InChI

InChI=1S/C21H18N6O3/c1-13(27-12-22-11-23-27)19(28)24-15-6-8-16(9-7-15)25-20(29)17-10-14-4-2-3-5-18(14)26-21(17)30/h2-13H,1H3,(H,24,28)(H,25,29)(H,26,30)