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

Systemtic Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(3-phenylpyrrolidin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chlorophenyl)-4-[oxo-(3-phenyl-1-pyrrolidinyl)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-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(=CC=C3)Cl)C(=O)N4CCC(C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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