4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazino]-4-keto-butyric acid Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C22H22ClN5O3/c23-17-3-1-16(2-4-17)21-20(15-7-9-24-10-8-15)22(26-25-21)28-13-11-27(12-14-28)18(29)5-6-19(30)31/h1-4,7-10H,5-6,11-14H2,(H,25,26)(H,30,31)