ethyl 4-[6-[1-(4-chlorophenyl)pyrazol-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[1-(4-chlorophenyl)pyrazol-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-[1-(4-chlorophenyl)pyrazol-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-[1-(4-chlorophenyl)-4-pyrazolyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[1-(4-chlorophenyl)pyrazol-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-[1-(4-chlorophenyl)pyrazol-4-yl]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CN(N=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CN(N=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN5O3/c1-2-31-22(30)27-11-9-26(10-12-27)21(29)16-3-8-20(24-13-16)17-14-25-28(15-17)19-6-4-18(23)5-7-19/h3-8,13-15H,2,9-12H2,1H3