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

Systemtic Name: methyl 2-acetamido-3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate hydrochloride Openeye Name: methyl 2-acetamido-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propanoate hydrochloride CAS Name: 2-acetamido-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-acetamido-3-[5-methyl-3-oxo-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate hydrochloride Traditional Name: 2-acetamido-3-[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propionic acid methyl ester hydrochloride Formula: C22H34ClN5O4 MolecularWeight: 467.98946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O4.ClH/c1-16(28)24-20(21(29)31-3)15-26-17(2)27(19-7-5-4-6-8-19)22(30)25(26)14-11-18-9-12-23-13-10-18;/h4-8,17-18,20,23H,9-15H2,1-3H3,(H,24,28);1H