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

Systemtic Name: ethyl 4-[1-(4-chlorophenyl)-4-pyridin-4-yl-pyrazol-3-yl]-1-methyl-piperazine-2-carboxylate Openeye Name: ethyl 4-[1-(4-chlorophenyl)-4-(4-pyridyl)pyrazol-3-yl]-1-methyl-piperazine-2-carboxylate CAS Name: 4-[1-(4-chlorophenyl)-4-pyridin-4-yl-3-pyrazolyl]-1-methyl-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-chlorophenyl)-4-pyridin-4-ylpyrazol-3-yl]-1-methylpiperazine-2-carboxylate Traditional Name: 4-[1-(4-chlorophenyl)-4-(4-pyridyl)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=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

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