5-[[4-[(3-iodanylphenyl)methoxymethyl]-4-phenyl-piperidin-1-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Systemtic Name: 5-[[4-[(3-iodanylphenyl)methoxymethyl]-4-phenyl-piperidin-1-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[[4-[(3-iodophenyl)methoxymethyl]-4-phenyl-1-piperidyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[[4-[(3-iodophenyl)methoxymethyl]-4-phenyl-1-piperidinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[[4-[(3-iodophenyl)methoxymethyl]-4-phenylpiperidin-1-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[[4-[(3-iodobenzyl)oxymethyl]-4-phenyl-piperidino]methyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C22H25IN4O2 MolecularWeight: 504.36397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(COCC2=CC(=CC=C2)I)C3=CC=CC=C3)CC4=NC(=O)NN4

Isomeric SMILES

C1CN(CCC1(COCC2=CC(=CC=C2)I)C3=CC=CC=C3)CC4=NC(=O)NN4

InChI

InChI=1S/C22H25IN4O2/c23-19-8-4-5-17(13-19)15-29-16-22(18-6-2-1-3-7-18)9-11-27(12-10-22)14-20-24-21(28)26-25-20/h1-8,13H,9-12,14-16H2,(H2,24,25,26,28)