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

Systemtic Name: methyl 2-[[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]methyl]pentanoate Openeye Name: methyl 2-[[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]pentanoate CAS Name: 2-[[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]pentanoic 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]pentanoate Traditional Name: 2-[[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]valeric acid methyl ester Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3/c1-4-8-20(22(28)30-3)17-26-18(2)27(21-9-6-5-7-10-21)23(29)25(26)16-13-19-11-14-24-15-12-19/h5-7,9-10,18-20,24H,4,8,11-17H2,1-3H3