[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-15-19(16(2)25(22-15)18-7-5-4-6-8-18)13-21(28)29-14-20(27)24-11-9-23(10-12-24)17(3)26/h4-8H,9-14H2,1-3H3