6-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H19N3O3/c1-14-18(15(2)25(24-14)17-6-4-3-5-7-17)9-10-20(26)16-8-11-21-19(12-16)23-22(27)13-28-21/h3-12H,13H2,1-2H3,(H,23,27)/b10-9+