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

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-15-10-12-24(13-11-15)19(26)14-28-20(27)9-8-18-16(2)23-25(21(18)22)17-6-4-3-5-7-17/h3-9,15H,10-14H2,1-2H3/b9-8+