tert-butyl 4-[2-(4-nitrophenyl)-4-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-nitrophenyl)-4-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-nitrophenyl)-4-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[anilino(oxo)methyl]-2-(4-nitrophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-nitrophenyl)-4-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-nitrophenyl)-4-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

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