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

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(3-phenylpyrrolidin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-4-[oxo-(3-phenyl-1-pyrrolidinyl)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H35ClN4O3 MolecularWeight: 535.0769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N4CCC(C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N4CCC(C4)C5=CC=CC=C5

InChI

InChI=1S/C30H35ClN4O3/c1-30(2,3)38-29(37)33-16-13-22(14-17-33)27-26(19-32-35(27)25-11-9-24(31)10-12-25)28(36)34-18-15-23(20-34)21-7-5-4-6-8-21/h4-12,19,22-23H,13-18,20H2,1-3H3