4-tert-butyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide CAS Name: 4-tert-butyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Formula: C16H22N4O MolecularWeight: 286.37208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCN2C=NC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCN2C=NC=N2

InChI

InChI=1S/C16H22N4O/c1-16(2,3)14-7-5-13(6-8-14)15(21)18-9-4-10-20-12-17-11-19-20/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,21)