4-butyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide

Systemtic Name: 4-butyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide Openeye Name: 4-butyl-N-[4-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]benzamide CAS Name: 4-butyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide IUPAC Name: 4-butyl-N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide Traditional Name: 4-butyl-N-[4-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]benzamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OC)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H28N4O2/c1-4-5-6-20-9-13-22(14-10-20)26(32)28-23-15-17-24(18-16-23)31-25(29-27(30-31)33-3)21-11-7-19(2)8-12-21/h7-18H,4-6H2,1-3H3,(H,28,32)