2-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-4-(4-piperidin-1-ylphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-4-(4-piperidin-1-ylphenyl)-1,2,4-triazol-3-one Openeye Name: 2-[[1-(2-phenoxyethyl)-4-piperidyl]methyl]-4-[4-(1-piperidyl)phenyl]-1,2,4-triazol-3-one CAS Name: 2-[[1-(2-phenoxyethyl)-4-piperidinyl]methyl]-4-[4-(1-piperidinyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-4-(4-piperidin-1-ylphenyl)-1,2,4-triazol-3-one Traditional Name: 2-[[1-(2-phenoxyethyl)-4-piperidyl]methyl]-4-(4-piperidinophenyl)-1,2,4-triazol-3-one Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)N3C=NN(C3=O)CC4CCN(CC4)CCOC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)N3C=NN(C3=O)CC4CCN(CC4)CCOC5=CC=CC=C5

InChI

InChI=1S/C27H35N5O2/c33-27-31(25-11-9-24(10-12-25)30-15-5-2-6-16-30)22-28-32(27)21-23-13-17-29(18-14-23)19-20-34-26-7-3-1-4-8-26/h1,3-4,7-12,22-23H,2,5-6,13-21H2