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

Systemtic Name: 3-[6-[6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[3-keto-6-[6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]-1,4-benzoxazin-4-yl]propionitrile Formula: C29H23N3O3 MolecularWeight: 461.51122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCC(=O)N5CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCC(=O)N5CCC#N

InChI

InChI=1S/C29H23N3O3/c1-34-24-11-8-21(9-12-24)25-16-23(20-6-3-2-4-7-20)17-26(31-25)22-10-13-28-27(18-22)32(15-5-14-30)29(33)19-35-28/h2-4,6-13,16-18H,5,15,19H2,1H3