tert-butyl 4-phenylazanyl-4-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-phenylazanyl-4-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-anilino-4-[(6-pyrazol-1-yl-3-pyridyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-anilino-4-[oxo-[[6-(1-pyrazolyl)-3-pyridinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-anilino-4-[(6-pyrazol-1-ylpyridin-3-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-anilino-4-[(6-pyrazol-1-yl-3-pyridyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30N6O3 MolecularWeight: 462.5441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NC2=CN=C(C=C2)N3C=CC=N3)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NC2=CN=C(C=C2)N3C=CC=N3)NC4=CC=CC=C4

InChI

InChI=1S/C25H30N6O3/c1-24(2,3)34-23(33)30-16-12-25(13-17-30,29-19-8-5-4-6-9-19)22(32)28-20-10-11-21(26-18-20)31-15-7-14-27-31/h4-11,14-15,18,29H,12-13,16-17H2,1-3H3,(H,28,32)