[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: 2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: 2-keto-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4/c1-14-18(15(2)23(4)22-14)19(26)21(28)29-16(3)20(27)25-12-10-24(11-13-25)17-8-6-5-7-9-17/h5-9,16H,10-13H2,1-4H3