methyl 2-[[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]methyl]octanoate

Systemtic Name: methyl 2-[[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]methyl]octanoate Openeye Name: methyl 2-[[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]octanoate CAS Name: 2-[[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]octanoic acid methyl ester IUPAC Name: methyl 2-[[5-methyl-3-oxo-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]methyl]octanoate Traditional Name: 2-[[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]caprylic acid methyl ester Formula: C26H42N4O3 MolecularWeight: 458.63668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN1C(N(C(=O)N1CCC2CCNCC2)C3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCCCCCC(CN1C(N(C(=O)N1CCC2CCNCC2)C3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C26H42N4O3/c1-4-5-6-8-11-23(25(31)33-3)20-29-21(2)30(24-12-9-7-10-13-24)26(32)28(29)19-16-22-14-17-27-18-15-22/h7,9-10,12-13,21-23,27H,4-6,8,11,14-20H2,1-3H3