(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C23H22ClN5O2 MolecularWeight: 435.90608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClN5O2/c1-16-20(22(24)29(27-16)19-5-3-2-4-6-19)15-31-23(30)18-9-11-28(12-10-18)21-8-7-17(13-25)14-26-21/h2-8,14,18H,9-12,15H2,1H3