N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C20H21N5O2/c1-14(2)19(26)24-17-5-3-4-15(10-17)11-22-20(27)16-6-8-18(9-7-16)25-13-21-12-23-25/h3-10,12-14H,11H2,1-2H3,(H,22,27)(H,24,26)