4-[5-(4-chlorophenyl)-2-oxidanylidene-3-(1H-pyrazol-5-yl)-4-pyridin-4-yl-piperazin-1-yl]butanoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)-2-oxidanylidene-3-(1H-pyrazol-5-yl)-4-pyridin-4-yl-piperazin-1-yl]butanoic acid Openeye Name: 4-[5-(4-chlorophenyl)-2-oxo-3-(1H-pyrazol-5-yl)-4-(4-pyridyl)piperazin-1-yl]butanoic acid CAS Name: 4-[5-(4-chlorophenyl)-2-oxo-3-(1H-pyrazol-5-yl)-4-pyridin-4-yl-1-piperazinyl]butanoic acid IUPAC Name: 4-[5-(4-chlorophenyl)-2-oxo-3-(1H-pyrazol-5-yl)-4-pyridin-4-ylpiperazin-1-yl]butanoic acid Traditional Name: 4-[5-(4-chlorophenyl)-2-keto-3-(1H-pyrazol-5-yl)-4-(4-pyridyl)piperazino]butyric acid Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C(=O)N1CCCC(=O)O)C2=CC=NN2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(N(C(C(=O)N1CCCC(=O)O)C2=CC=NN2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN5O3/c23-16-5-3-15(4-6-16)19-14-27(13-1-2-20(29)30)22(31)21(18-9-12-25-26-18)28(19)17-7-10-24-11-8-17/h3-12,19,21H,1-2,13-14H2,(H,25,26)(H,29,30)