[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3/c1-18(2)15-26-23(29)17-31-24(30)14-13-21-16-28(22-7-5-4-6-8-22)27-25(21)20-11-9-19(3)10-12-20/h4-14,16,18H,15,17H2,1-3H3,(H,26,29)/b14-13+