tert-butyl 4-[5-ethoxycarbonyl-4-(phenylmethyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-ethoxycarbonyl-4-(phenylmethyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-benzyl-5-ethoxycarbonyl-1H-pyrazol-3-yl)piperazine-1-carboxylate CAS Name: 4-[5-ethoxycarbonyl-4-(phenylmethyl)-1H-pyrazol-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-benzyl-5-ethoxycarbonyl-1H-pyrazol-3-yl)piperazine-1-carboxylate Traditional Name: 4-(4-benzyl-5-carbethoxy-1H-pyrazol-3-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)N2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)N2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O4/c1-5-29-20(27)18-17(15-16-9-7-6-8-10-16)19(24-23-18)25-11-13-26(14-12-25)21(28)30-22(2,3)4/h6-10H,5,11-15H2,1-4H3,(H,23,24)