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

Systemtic Name: 3-[6-[4,6-bis(4-chlorophenyl)pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[4,6-bis(4-chlorophenyl)-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[4,6-bis(4-chlorophenyl)-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[4,6-bis(4-chlorophenyl)pyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[6-[4,6-bis(4-chlorophenyl)-2-pyridyl]-3-keto-1,4-benzoxazin-4-yl]propionitrile Formula: C28H19Cl2N3O2 MolecularWeight: 500.37536

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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=C(C=C4)Cl)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=C(C=C4)Cl)C5=CC=C(C=C5)Cl)CCC#N

InChI

InChI=1S/C28H19Cl2N3O2/c29-22-7-2-18(3-8-22)21-14-24(19-4-9-23(30)10-5-19)32-25(15-21)20-6-11-27-26(16-20)33(13-1-12-31)28(34)17-35-27/h2-11,14-16H,1,13,17H2