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

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3,4-dimethylphenyl)-4-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)-4-(2-pyrrolidinoethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H41N5O3 MolecularWeight: 495.65684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCCC3)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCCC3)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H41N5O3/c1-20-8-9-23(18-21(20)2)33-25(22-10-15-32(16-11-22)27(35)36-28(3,4)5)24(19-30-33)26(34)29-12-17-31-13-6-7-14-31/h8-9,18-19,22H,6-7,10-17H2,1-5H3,(H,29,34)