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

Systemtic Name: methyl 2-[[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]methyl]butanoate Openeye Name: methyl 2-[[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]butanoate CAS Name: 2-[[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]butanoic 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]butanoate Traditional Name: 2-[[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]methyl]butyric acid methyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3/c1-4-19(21(27)29-3)16-25-17(2)26(20-8-6-5-7-9-20)22(28)24(25)15-12-18-10-13-23-14-11-18/h5-9,17-19,23H,4,10-16H2,1-3H3