4-tert-butyl-N-[3-oxidanylidene-3-(1H-1,2,4-triazol-5-ylamino)propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-(1H-1,2,4-triazol-5-ylamino)propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-oxo-3-(1H-1,2,4-triazol-5-ylamino)propyl]benzamide CAS Name: 4-tert-butyl-N-[3-oxo-3-(1H-1,2,4-triazol-5-ylamino)propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-oxo-3-(1H-1,2,4-triazol-5-ylamino)propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-(1H-1,2,4-triazol-5-ylamino)propyl]benzamide Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC=NN2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC=NN2

InChI

InChI=1S/C16H21N5O2/c1-16(2,3)12-6-4-11(5-7-12)14(23)17-9-8-13(22)20-15-18-10-19-21-15/h4-7,10H,8-9H2,1-3H3,(H,17,23)(H2,18,19,20,21,22)