tert-butyl 4-[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-[4-(1-pyrazolylmethyl)phenyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C26H30N4O3/c1-26(2,3)33-25(32)29-17-15-28(16-18-29)24(31)23-8-5-4-7-22(23)21-11-9-20(10-12-21)19-30-14-6-13-27-30/h4-14H,15-19H2,1-3H3