tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(2-pyridylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3,4-dimethylphenyl)-4-[oxo-(2-pyridinylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)-4-(2-pyridylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CC=N3)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CC=N3)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H35N5O3/c1-19-9-10-23(16-20(19)2)33-25(21-11-14-32(15-12-21)27(35)36-28(3,4)5)24(18-31-33)26(34)30-17-22-8-6-7-13-29-22/h6-10,13,16,18,21H,11-12,14-15,17H2,1-5H3,(H,30,34)