(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)N2CCCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N2CCCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3/c1-16-18(21(22)25(23-16)14-17-8-4-2-5-9-17)10-11-20(27)28-15-19(26)24-12-6-3-7-13-24/h2,4-5,8-11H,3,6-7,12-15H2,1H3/b11-10+