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

Systemtic Name: 5-[[4-[(3-chloranyl-5-methoxy-phenyl)methoxymethyl]-4-phenyl-piperidin-1-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[[4-[(3-chloro-5-methoxy-phenyl)methoxymethyl]-4-phenyl-1-piperidyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[[4-[(3-chloro-5-methoxyphenyl)methoxymethyl]-4-phenyl-1-piperidinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[[4-[(3-chloro-5-methoxyphenyl)methoxymethyl]-4-phenylpiperidin-1-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[[4-[(3-chloro-5-methoxy-benzyl)oxymethyl]-4-phenyl-piperidino]methyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C23H27ClN4O3 MolecularWeight: 442.93848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COCC2(CCN(CC2)CC3=NC(=O)NN3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)COCC2(CCN(CC2)CC3=NC(=O)NN3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H27ClN4O3/c1-30-20-12-17(11-19(24)13-20)15-31-16-23(18-5-3-2-4-6-18)7-9-28(10-8-23)14-21-25-22(29)27-26-21/h2-6,11-13H,7-10,14-16H2,1H3,(H2,25,26,27,29)