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

Systemtic Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamide Openeye Name: N-[4-[3-ethoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamide CAS Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-4-hexylbenzamide IUPAC Name: N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-4-hexylbenzamide Traditional Name: N-[4-[3-ethoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamide Formula: C30H34N4O2 MolecularWeight: 482.61656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OCC)C4=CC=CC=C4C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OCC)C4=CC=CC=C4C

InChI

InChI=1S/C30H34N4O2/c1-4-6-7-8-12-23-14-16-24(17-15-23)29(35)31-25-18-20-26(21-19-25)34-28(32-30(33-34)36-5-2)27-13-10-9-11-22(27)3/h9-11,13-21H,4-8,12H2,1-3H3,(H,31,35)