1-[[4-phenyl-4-[(3-propan-2-yloxyphenyl)methoxymethyl]piperidin-1-yl]methyl]-1,2,4-triazolidin-3-one

Systemtic Name: 1-[[4-phenyl-4-[(3-propan-2-yloxyphenyl)methoxymethyl]piperidin-1-yl]methyl]-1,2,4-triazolidin-3-one Openeye Name: 1-[[4-[(3-isopropoxyphenyl)methoxymethyl]-4-phenyl-1-piperidyl]methyl]-1,2,4-triazolidin-3-one CAS Name: 1-[[4-phenyl-4-[(3-propan-2-yloxyphenyl)methoxymethyl]-1-piperidinyl]methyl]-1,2,4-triazolidin-3-one IUPAC Name: 1-[[4-phenyl-4-[(3-propan-2-yloxyphenyl)methoxymethyl]piperidin-1-yl]methyl]-1,2,4-triazolidin-3-one Traditional Name: 1-[[4-[(3-isopropoxybenzyl)oxymethyl]-4-phenyl-piperidino]methyl]-1,2,4-triazolidin-3-one Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)COCC2(CCN(CC2)CN3CNC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)COCC2(CCN(CC2)CN3CNC(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3/c1-20(2)32-23-10-6-7-21(15-23)16-31-17-25(22-8-4-3-5-9-22)11-13-28(14-12-25)19-29-18-26-24(30)27-29/h3-10,15,20H,11-14,16-19H2,1-2H3,(H2,26,27,30)