tert-butyl 4-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H41N5O3 MolecularWeight: 543.69964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C5CCN(CC5)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C5CCN(CC5)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C32H41N5O3/c1-23-10-9-13-28(24(23)2)34-18-20-35(21-19-34)30(38)27-22-33-37(26-11-7-6-8-12-26)29(27)25-14-16-36(17-15-25)31(39)40-32(3,4)5/h6-13,22,25H,14-21H2,1-5H3