tert-butyl 4-[2-phenyl-4-[2-[4-(phenylmethyl)piperidin-1-yl]ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-phenyl-4-[2-[4-(phenylmethyl)piperidin-1-yl]ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(4-benzyl-1-piperidyl)ethylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[2-[4-(phenylmethyl)-1-piperidinyl]ethylamino]methyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(4-benzylpiperidin-1-yl)ethylcarbamoyl]-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(4-benzylpiperidino)ethylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C34H45N5O3 MolecularWeight: 571.7528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCCN4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCCN4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C34H45N5O3/c1-34(2,3)42-33(41)38-21-16-28(17-22-38)31-30(25-36-39(31)29-12-8-5-9-13-29)32(40)35-18-23-37-19-14-27(15-20-37)24-26-10-6-4-7-11-26/h4-13,25,27-28H,14-24H2,1-3H3,(H,35,40)