N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)CN3C=NC=N3)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)CN3C=NC=N3)N4CCCCC4

InChI

InChI=1S/C24H29N5O2/c1-31-22-11-9-20(10-12-22)23(28-13-3-2-4-14-28)15-26-24(30)21-7-5-19(6-8-21)16-29-18-25-17-27-29/h5-12,17-18,23H,2-4,13-16H2,1H3,(H,26,30)