3-oxidanylidene-4-[(3-pyridin-4-ylphenyl)methyl]-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: 3-oxidanylidene-4-[(3-pyridin-4-ylphenyl)methyl]-1,4-benzoxazine-6-carbaldehyde Openeye Name: 3-oxo-4-[[3-(4-pyridyl)phenyl]methyl]-1,4-benzoxazine-6-carbaldehyde CAS Name: 3-oxo-4-[(3-pyridin-4-ylphenyl)methyl]-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 3-oxo-4-[(3-pyridin-4-ylphenyl)methyl]-1,4-benzoxazine-6-carbaldehyde Traditional Name: 3-keto-4-[3-(4-pyridyl)benzyl]-1,4-benzoxazine-6-carbaldehyde Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=CC(=C3)C4=CC=NC=C4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=CC(=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H16N2O3/c24-13-16-4-5-20-19(11-16)23(21(25)14-26-20)12-15-2-1-3-18(10-15)17-6-8-22-9-7-17/h1-11,13H,12,14H2