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

Systemtic Name: 3-[6-[6-[4-(2-methylpropyl)phenyl]-4-phenyl-pyridin-2-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[6-(4-isobutylphenyl)-4-phenyl-2-pyridyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[6-[4-(2-methylpropyl)phenyl]-4-phenyl-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[6-[4-(2-methylpropyl)phenyl]-4-phenylpyridin-2-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[6-[6-(4-isobutylphenyl)-4-phenyl-2-pyridyl]-3-keto-1,4-benzoxazin-4-yl]propionitrile Formula: C32H29N3O2 MolecularWeight: 487.59156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCC(=O)N5CCC#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCC(=O)N5CCC#N

InChI

InChI=1S/C32H29N3O2/c1-22(2)17-23-9-11-25(12-10-23)28-18-27(24-7-4-3-5-8-24)19-29(34-28)26-13-14-31-30(20-26)35(16-6-15-33)32(36)21-37-31/h3-5,7-14,18-20,22H,6,16-17,21H2,1-2H3