tert-butyl 4-(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)piperidine-1-carboxylate CAS Name: 4-(4-ethoxycarbonyl-2-phenyl-3-pyrazolyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-ethoxycarbonyl-2-phenylpyrazol-3-yl)piperidine-1-carboxylate Traditional Name: 4-(4-carbethoxy-2-phenyl-pyrazol-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O4/c1-5-28-20(26)18-15-23-25(17-9-7-6-8-10-17)19(18)16-11-13-24(14-12-16)21(27)29-22(2,3)4/h6-10,15-16H,5,11-14H2,1-4H3