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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclopropylamino)-1-methyl-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 [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] (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-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OC(C)C(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OC(C)C(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c1-17-8-10-19(11-9-17)24-20(16-28(27-24)22-6-4-3-5-7-22)12-15-23(29)31-18(2)25(30)26-21-13-14-21/h3-12,15-16,18,21H,13-14H2,1-2H3,(H,26,30)/b15-12+