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

Systemtic Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoline-2-carboxamide Openeye Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoline-2-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-2-quinolinecarboxamide IUPAC Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoline-2-carboxamide Traditional Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinaldamide Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)N4C=NC=N4

InChI

InChI=1S/C21H18N6O2/c1-14(27-13-22-12-23-27)20(28)24-16-7-9-17(10-8-16)25-21(29)19-11-6-15-4-2-3-5-18(15)26-19/h2-14H,1H3,(H,24,28)(H,25,29)