tert-butyl 4-[2-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H33ClN4O3 MolecularWeight: 521.05032

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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)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H33ClN4O3/c1-29(2,3)37-28(36)32-15-13-21(14-16-32)26-25(18-31-34(26)24-10-8-23(30)9-11-24)27(35)33-17-12-20-6-4-5-7-22(20)19-33/h4-11,18,21H,12-17,19H2,1-3H3