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

Systemtic Name: N-[(4-cyanophenyl)methyl]-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide Openeye Name: N-[(4-cyanophenyl)methyl]-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide CAS Name: N-[(4-cyanophenyl)methyl]-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide IUPAC Name: N-[(4-cyanophenyl)methyl]-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide Traditional Name: N-(4-cyanobenzyl)-3-[3-(1,2,4-triazol-1-yl)prop-1-ynyl]benzamide Formula: C20H15N5O MolecularWeight: 341.366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C#N)C#CCN3C=NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C#N)C#CCN3C=NC=N3

InChI

InChI=1S/C20H15N5O/c21-12-17-6-8-18(9-7-17)13-23-20(26)19-5-1-3-16(11-19)4-2-10-25-15-22-14-24-25/h1,3,5-9,11,14-15H,10,13H2,(H,23,26)