1-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-4-phenoxy-piperidine

Systemtic Name: 1-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-4-phenoxy-piperidine Openeye Name: 1-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-4-phenoxy-piperidine CAS Name: 1-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-4-phenoxypiperidine IUPAC Name: 1-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-4-phenoxypiperidine Traditional Name: 1-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzyl]-4-phenoxy-piperidine Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCC(CC4)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCC(CC4)OC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-32-23-12-10-21(11-13-23)26-28-27(30-29-26)22-7-5-6-20(18-22)19-31-16-14-25(15-17-31)33-24-8-3-2-4-9-24/h2-13,18,25H,14-17,19H2,1H3,(H,28,29,30)