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

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (1-methyl-2-morpholino-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-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-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-keto-1-methyl-2-morpholino-ethyl) ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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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)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OC(C)C(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-19-8-10-21(11-9-19)25-22(18-29(27-25)23-6-4-3-5-7-23)12-13-24(30)33-20(2)26(31)28-14-16-32-17-15-28/h3-13,18,20H,14-17H2,1-2H3/b13-12+