3-[4-[(E)-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-keto-3-(3-keto-4H-1,4-benzoxazin-6-yl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C23H18N4O3/c24-11-4-12-27-14-18(23(26-27)16-5-2-1-3-6-16)7-9-20(28)17-8-10-21-19(13-17)25-22(29)15-30-21/h1-3,5-10,13-14H,4,12,15H2,(H,25,29)/b9-7+