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

Systemtic Name: 6-[(E)-3-(4-pyrazol-1-ylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-pyrazol-1-ylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-1-oxo-3-[4-(1-pyrazolyl)phenyl]prop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-pyrazol-1-ylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-pyrazol-1-ylphenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C=CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H15N3O3/c24-18(15-5-9-19-17(12-15)22-20(25)13-26-19)8-4-14-2-6-16(7-3-14)23-11-1-10-21-23/h1-12H,13H2,(H,22,25)/b8-4+