2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1-methylene-3-oxo-isoindolin-2-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]acetamide Formula: C21H19N5O2 MolecularWeight: 373.40786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H19N5O2/c1-15-18-4-2-3-5-19(18)21(28)26(15)12-20(27)23-10-16-6-8-17(9-7-16)11-25-14-22-13-24-25/h2-9,13-14H,1,10-12H2,(H,23,27)