5-[[3-[(3-tert-butylphenyl)methoxy]-2-phenyl-piperidin-1-yl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-[[3-[(3-tert-butylphenyl)methoxy]-2-phenyl-piperidin-1-yl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-[[3-[(3-tert-butylphenyl)methoxy]-2-phenyl-1-piperidyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-[[3-[(3-tert-butylphenyl)methoxy]-2-phenyl-1-piperidinyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-[[3-[(3-tert-butylphenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-[[3-(3-tert-butylbenzyl)oxy-2-phenyl-piperidino]methyl]-1,2,4-triazol-3-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)COC2CCCN(C2C3=CC=CC=C3)CC4=NC(=O)N=N4

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)COC2CCCN(C2C3=CC=CC=C3)CC4=NC(=O)N=N4

InChI

InChI=1S/C25H30N4O2/c1-25(2,3)20-12-7-9-18(15-20)17-31-21-13-8-14-29(16-22-26-24(30)28-27-22)23(21)19-10-5-4-6-11-19/h4-7,9-12,15,21,23H,8,13-14,16-17H2,1-3H3