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

Systemtic Name: 3-[6-[4,6-bis(4-methylphenyl)pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[4,6-bis(p-tolyl)-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[4,6-bis(4-methylphenyl)-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[4,6-bis(4-methylphenyl)pyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[6-[4,6-bis(p-tolyl)-2-pyridyl]-3-keto-1,4-benzoxazin-4-yl]propionitrile Formula: C30H25N3O2 MolecularWeight: 459.5384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCC(=O)N4CCC#N)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCC(=O)N4CCC#N)C5=CC=C(C=C5)C

InChI

InChI=1S/C30H25N3O2/c1-20-4-8-22(9-5-20)25-16-26(23-10-6-21(2)7-11-23)32-27(17-25)24-12-13-29-28(18-24)33(15-3-14-31)30(34)19-35-29/h4-13,16-18H,3,15,19H2,1-2H3