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

Systemtic Name: ethyl 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylate Openeye Name: ethyl 4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylate CAS Name: 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazine-2-carboxylate Traditional Name: 4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylic acid ethyl ester Formula: C22H24ClN5O2 MolecularWeight: 425.91126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CN(CCN1C)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN5O2/c1-3-30-22(29)18-14-28(13-12-27(18)2)21-19(15-8-10-24-11-9-15)20(25-26-21)16-4-6-17(23)7-5-16/h4-11,18H,3,12-14H2,1-2H3,(H,25,26)