4-(3-methylphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(3-methylphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(3-methylphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(3-methylphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(3-methylphenoxy)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(3-methylphenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]butyramide Formula: C21H24N4O2 MolecularWeight: 364.44086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C21H24N4O2/c1-17-4-2-5-20(12-17)27-11-3-6-21(26)23-13-18-7-9-19(10-8-18)14-25-16-22-15-24-25/h2,4-5,7-10,12,15-16H,3,6,11,13-14H2,1H3,(H,23,26)