3-[6-[4-(4-chlorophenyl)-6-phenyl-pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile

Systemtic Name: 3-[6-[4-(4-chlorophenyl)-6-phenyl-pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[4-(4-chlorophenyl)-6-phenyl-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[4-(4-chlorophenyl)-6-phenylpyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[6-[4-(4-chlorophenyl)-6-phenyl-2-pyridyl]-3-keto-1,4-benzoxazin-4-yl]propionitrile Formula: C28H20ClN3O2 MolecularWeight: 465.9303

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)CCC#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)CCC#N

InChI

InChI=1S/C28H20ClN3O2/c29-23-10-7-19(8-11-23)22-15-24(20-5-2-1-3-6-20)31-25(16-22)21-9-12-27-26(17-21)32(14-4-13-30)28(33)18-34-27/h1-3,5-12,15-17H,4,14,18H2