3-(2,6-dimethylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one

Systemtic Name: 3-(2,6-dimethylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one Openeye Name: 3-(2,6-dimethylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one CAS Name: 3-(2,6-dimethylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborin-4-one IUPAC Name: 3-(2,6-dimethylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one Traditional Name: 3-(2,6-dimethylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborin-4-one Formula: C21H19BN2O MolecularWeight: 326.19936

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Descriptors Computed from Structure

Canonical SMILES:

B1(NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3C)C)C4=CC=CC=C4

Isomeric SMILES

B1(NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H19BN2O/c1-15-9-8-10-16(2)20(15)24-21(25)18-13-6-7-14-19(18)23-22(24)17-11-4-3-5-12-17/h3-14,23H,1-2H3