N-[(4-methylphenyl)methyl]-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide Openeye Name: N-(p-tolylmethyl)-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide CAS Name: N-[(4-methylphenyl)methyl]-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide Traditional Name: N-(4-methylbenzyl)-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C#CCN3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C#CCN3C=NC=N3

InChI

InChI=1S/C20H18N4O/c1-16-7-9-18(10-8-16)13-22-20(25)19-6-2-4-17(12-19)5-3-11-24-15-21-14-23-24/h2,4,6-10,12,14-15H,11,13H2,1H3,(H,22,25)