ethyl 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxylate

Systemtic Name: ethyl 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxylate Openeye Name: ethyl 4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazine-2-carboxylate CAS Name: 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxylate Traditional Name: 4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazine-2-carboxylic acid ethyl ester Formula: C21H22ClN5O2 MolecularWeight: 411.88468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CN(CCN1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-2-29-21(28)17-13-27(12-11-24-17)20-18(14-7-9-23-10-8-14)19(25-26-20)15-3-5-16(22)6-4-15/h3-10,17,24H,2,11-13H2,1H3,(H,25,26)