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

Systemtic Name: methyl 3-[3-oxidanylidene-4-phenyl-2-(2-piperazin-1-ylethyl)-1,2,4-triazolidin-1-yl]propanoate Openeye Name: methyl 3-[3-oxo-4-phenyl-2-(2-piperazin-1-ylethyl)-1,2,4-triazolidin-1-yl]propanoate CAS Name: 3-[3-oxo-4-phenyl-2-[2-(1-piperazinyl)ethyl]-1,2,4-triazolidin-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-oxo-4-phenyl-2-(2-piperazin-1-ylethyl)-1,2,4-triazolidin-1-yl]propanoate Traditional Name: 3-[3-keto-4-phenyl-2-(2-piperazinoethyl)-1,2,4-triazolidin-1-yl]propionic acid methyl ester Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CN(C(=O)N1CCN2CCNCC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1CN(C(=O)N1CCN2CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H27N5O3/c1-26-17(24)7-10-21-15-22(16-5-3-2-4-6-16)18(25)23(21)14-13-20-11-8-19-9-12-20/h2-6,19H,7-15H2,1H3