[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: [1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetic acid [1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetic acid [2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)OC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)OC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O5/c1-3-28-13-15-29(16-14-28)26(33)19(2)36-24(32)17-21-18-30(22-7-5-4-6-8-22)27-25(21)20-9-11-23(12-10-20)31(34)35/h4-12,18-19H,3,13-17H2,1-2H3