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

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-hexylbenzamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-hexylbenzamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-4-hexyl-benzamide Formula: C29H30N4O4 MolecularWeight: 498.5729

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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)OC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=NC(=N3)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H30N4O4/c1-3-4-5-6-7-20-8-10-21(11-9-20)28(34)30-23-13-15-24(16-14-23)33-27(31-29(32-33)35-2)22-12-17-25-26(18-22)37-19-36-25/h8-18H,3-7,19H2,1-2H3,(H,30,34)