tert-butyl 4-[[(1,3-diphenylpyrazol-4-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(1,3-diphenylpyrazol-4-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(1,3-diphenylpyrazole-4-carbonyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(1,3-diphenylpyrazole-4-carbonyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(1,3-diphenylpyrazole-4-carbonyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4/c1-27(2,3)36-26(35)31-16-14-20(15-17-31)24(33)28-29-25(34)22-18-32(21-12-8-5-9-13-21)30-23(22)19-10-6-4-7-11-19/h4-13,18,20H,14-17H2,1-3H3,(H,28,33)(H,29,34)