[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)Cl)C

InChI

InChI=1S/C19H22ClN5O3/c1-14-15(19(20)23(2)22-14)6-7-18(27)28-13-17(26)25-11-9-24(10-12-25)16-5-3-4-8-21-16/h3-8H,9-13H2,1-2H3/b7-6+