[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(1,5-dimethylhexylamino)-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-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-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-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C23H30ClN3O3 MolecularWeight: 431.9556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NC(C)CCCC(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC(C)CCCC(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C23H30ClN3O3/c1-16(2)9-8-10-17(3)25-21(28)15-30-22(29)14-13-20-18(4)26-27(23(20)24)19-11-6-5-7-12-19/h5-7,11-14,16-17H,8-10,15H2,1-4H3,(H,25,28)/b14-13+