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

Systemtic Name: 3-[6-[4,6-bis(4-methoxyphenyl)pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[4,6-bis(4-methoxyphenyl)-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[4,6-bis(4-methoxyphenyl)-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[4,6-bis(4-methoxyphenyl)pyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[6-[4,6-bis(4-methoxyphenyl)-2-pyridyl]-3-keto-1,4-benzoxazin-4-yl]propionitrile Formula: C30H25N3O4 MolecularWeight: 491.5372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCC(=O)N4CCC#N)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCC(=O)N4CCC#N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H25N3O4/c1-35-24-9-4-20(5-10-24)23-16-26(21-6-11-25(36-2)12-7-21)32-27(17-23)22-8-13-29-28(18-22)33(15-3-14-31)30(34)19-37-29/h4-13,16-18H,3,15,19H2,1-2H3