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

Systemtic Name: methyl 2-methyl-3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate hydrochloride Openeye Name: methyl 2-methyl-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propanoate hydrochloride CAS Name: 2-methyl-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-methyl-3-[5-methyl-3-oxo-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate hydrochloride Traditional Name: 3-[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]-2-methyl-propionic acid methyl ester hydrochloride Formula: C21H33ClN4O3 MolecularWeight: 424.96472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3.ClH/c1-16(20(26)28-3)15-24-17(2)25(19-7-5-4-6-8-19)21(27)23(24)14-11-18-9-12-22-13-10-18;/h4-8,16-18,22H,9-15H2,1-3H3;1H