3-[3-[[6-(2-methylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 3-[3-[[6-(2-methylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 3-[3-[[6-(o-tolyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzonitrile CAS Name: 3-[3-[[6-(2-methylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzonitrile IUPAC Name: 3-[3-[[6-(2-methylphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzonitrile Traditional Name: 3-[3-[[3-keto-6-(o-tolyl)-1,4-benzoxazin-4-yl]methyl]phenyl]benzonitrile Formula: C29H22N2O2 MolecularWeight: 430.49718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)OCC(=O)N3CC4=CC=CC(=C4)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)OCC(=O)N3CC4=CC=CC(=C4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H22N2O2/c1-20-6-2-3-11-26(20)25-12-13-28-27(16-25)31(29(32)19-33-28)18-22-8-5-10-24(15-22)23-9-4-7-21(14-23)17-30/h2-16H,18-19H2,1H3