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

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-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 [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) (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-1-methyl-2-pyrrolidino-ethyl) ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C)C(=O)N2CCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C)C(=O)N2CCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3/c1-15-18(20(22)25(23-15)14-17-8-4-3-5-9-17)10-11-19(26)28-16(2)21(27)24-12-6-7-13-24/h3-5,8-11,16H,6-7,12-14H2,1-2H3/b11-10+