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

Systemtic Name: 3-(4-methylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one Openeye Name: 2-phenyl-3-(p-tolyl)-1H-1,3,2-benzodiazaborinin-4-one CAS Name: 3-(4-methylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborin-4-one IUPAC Name: 3-(4-methylphenyl)-2-phenyl-1H-1,3,2-benzodiazaborinin-4-one Traditional Name: 2-phenyl-3-(p-tolyl)-1H-1,3,2-benzodiazaborin-4-one Formula: C20H17BN2O MolecularWeight: 312.17278

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Descriptors Computed from Structure

Canonical SMILES:

B1(NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

B1(NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C20H17BN2O/c1-15-11-13-17(14-12-15)23-20(24)18-9-5-6-10-19(18)22-21(23)16-7-3-2-4-8-16/h2-14,22H,1H3