methyl 3-[5-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl]propanoate

Systemtic Name: methyl 3-[5-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl]propanoate Openeye Name: methyl 3-[5-methyl-2-[2-(1-methyl-4-piperidyl)ethyl]-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl]propanoate CAS Name: 3-[5-methyl-2-[2-(1-methyl-4-piperidinyl)ethyl]-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl]propanoate Traditional Name: 3-[3-keto-5-methyl-2-[2-(1-methyl-4-piperidyl)ethyl]-4-phenyl-1,2,4-triazolidin-1-yl]propionic acid methyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCN(CC3)C)CCC(=O)OC

Isomeric SMILES

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCN(CC3)C)CCC(=O)OC

InChI

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