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

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-[(2S)-2-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-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-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-[(2S)-2-methylpiperidino]ethyl] ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-15-8-6-7-13-24(15)19(26)14-28-20(27)12-11-18-16(2)23-25(21(18)22)17-9-4-3-5-10-17/h3-5,9-12,15H,6-8,13-14H2,1-2H3/b12-11+/t15-/m0/s1