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

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3,4-dimethylphenyl)-4-[(4-ethoxyanilino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)-4-(p-phenetylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H38N4O4 MolecularWeight: 518.64712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC(=C(C=C3)C)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC(=C(C=C3)C)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H38N4O4/c1-7-37-25-12-9-23(10-13-25)32-28(35)26-19-31-34(24-11-8-20(2)21(3)18-24)27(26)22-14-16-33(17-15-22)29(36)38-30(4,5)6/h8-13,18-19,22H,7,14-17H2,1-6H3,(H,32,35)