[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C20H24N4O4/c1-14-12-15(2)24(21-14)18-6-4-17(5-7-18)20(27)28-13-19(26)23-10-8-22(9-11-23)16(3)25/h4-7,12H,8-11,13H2,1-3H3