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

Systemtic Name: 3-[6-[4-(furan-2-yl)-6-(4-methoxyphenyl)pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[4-(2-furyl)-6-(4-methoxyphenyl)-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[4-(2-furanyl)-6-(4-methoxyphenyl)-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[4-(furan-2-yl)-6-(4-methoxyphenyl)pyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[6-[4-(2-furyl)-6-(4-methoxyphenyl)-2-pyridyl]-3-keto-1,4-benzoxazin-4-yl]propionitrile Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=CO3)C4=CC5=C(C=C4)OCC(=O)N5CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=CO3)C4=CC5=C(C=C4)OCC(=O)N5CCC#N

InChI

InChI=1S/C27H21N3O4/c1-32-21-8-5-18(6-9-21)22-14-20(25-4-2-13-33-25)15-23(29-22)19-7-10-26-24(16-19)30(12-3-11-28)27(31)17-34-26/h2,4-10,13-16H,3,12,17H2,1H3