6-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]-4H-1,4-benzoxazin-3-one Formula: C28H23N3O5 MolecularWeight: 481.49932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H23N3O5/c1-34-25-13-10-19(15-26(25)35-2)28-20(16-31(30-28)21-6-4-3-5-7-21)8-11-23(32)18-9-12-24-22(14-18)29-27(33)17-36-24/h3-16H,17H2,1-2H3,(H,29,33)/b11-8+