2-(4-ethoxyphenyl)-1-[4-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-ethoxyphenyl)-1-[4-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone Openeye Name: 2-(4-ethoxyphenyl)-1-[4-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]-1-piperidyl]ethanone CAS Name: 2-(4-ethoxyphenyl)-1-[4-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-1-piperidinyl]ethanone IUPAC Name: 2-(4-ethoxyphenyl)-1-[4-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone Traditional Name: 2-p-phenetyl-1-[4-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]piperidino]ethanone Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N2CCC(CC2)C3=NC(=NN3)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N2CCC(CC2)C3=NC(=NN3)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-2-29-19-7-5-16(6-8-19)14-20(28)27-12-9-17(10-13-27)21-24-22(26-25-21)18-4-3-11-23-15-18/h3-8,11,15,17H,2,9-10,12-14H2,1H3,(H,24,25,26)