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

Systemtic Name: methyl 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-piperazinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]piperazino]-4-keto-butyric acid methyl ester Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CCC(=O)N1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN5O3/c1-32-20(31)7-6-19(30)28-12-14-29(15-13-28)23-21(16-8-10-25-11-9-16)22(26-27-23)17-2-4-18(24)5-3-17/h2-5,8-11H,6-7,12-15H2,1H3,(H,26,27)