tert-butyl 4-[2-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chlorophenyl)-4-[(4-ethyl-1-piperazinyl)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H36ClN5O3 MolecularWeight: 502.04874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H36ClN5O3/c1-5-29-13-15-30(16-14-29)24(33)22-18-28-32(21-8-6-7-20(27)17-21)23(22)19-9-11-31(12-10-19)25(34)35-26(2,3)4/h6-8,17-19H,5,9-16H2,1-4H3