ethyl 4-[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O5/c1-2-35-25(32)28-14-12-20(13-15-28)26-23(31)16-19-17-29(21-6-4-3-5-7-21)27-24(19)18-8-10-22(11-9-18)30(33)34/h3-11,17,20H,2,12-16H2,1H3,(H,26,31)