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

Systemtic Name: 3-[6-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(p-tolyl)-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)pyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[6-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(p-tolyl)-2-pyridyl]-3-keto-1,4-benzoxazin-4-yl]propionitrile Formula: C31H25N3O4 MolecularWeight: 503.5479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCCO4)C5=CC6=C(C=C5)OCC(=O)N6CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCCO4)C5=CC6=C(C=C5)OCC(=O)N6CCC#N

InChI

InChI=1S/C31H25N3O4/c1-20-3-5-21(6-4-20)24-15-25(33-26(16-24)23-8-10-29-30(18-23)37-14-13-36-29)22-7-9-28-27(17-22)34(12-2-11-32)31(35)19-38-28/h3-10,15-18H,2,12-14,19H2,1H3