tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-(4-methylpiperidin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-(4-methylpiperidin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-(4-methylpiperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[(4-methyl-1-piperidinyl)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-phenyl)-4-(4-methylpiperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H37ClN4O3 MolecularWeight: 501.06068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=C(N(N=C2)C3=C(C(=CC=C3)Cl)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=C(N(N=C2)C3=C(C(=CC=C3)Cl)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H37ClN4O3/c1-18-9-13-30(14-10-18)25(33)21-17-29-32(23-8-6-7-22(28)19(23)2)24(21)20-11-15-31(16-12-20)26(34)35-27(3,4)5/h6-8,17-18,20H,9-16H2,1-5H3