4-(4-methylphenyl)-4-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(4-methylphenyl)-4-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-oxo-4-(p-tolyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(4-methylphenyl)-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(4-methylphenyl)-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-keto-4-(p-tolyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]butyramide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-16-2-8-19(9-3-16)20(26)10-11-21(27)23-12-17-4-6-18(7-5-17)13-25-15-22-14-24-25/h2-9,14-15H,10-13H2,1H3,(H,23,27)