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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCNCC3)CC(C(C)C)C(=O)OC

Isomeric SMILES

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCNCC3)CC(C(C)C)C(=O)OC

InChI

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