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

Systemtic Name: 2-phenyl-3-(pyridin-4-ylmethyl)-1H-1,3,2-benzodiazaborinin-4-one Openeye Name: 2-phenyl-3-(4-pyridylmethyl)-1H-1,3,2-benzodiazaborinin-4-one CAS Name: 2-phenyl-3-(pyridin-4-ylmethyl)-1H-1,3,2-benzodiazaborin-4-one IUPAC Name: 2-phenyl-3-(pyridin-4-ylmethyl)-1H-1,3,2-benzodiazaborinin-4-one Traditional Name: 2-phenyl-3-(4-pyridylmethyl)-1H-1,3,2-benzodiazaborin-4-one Formula: C19H16BN3O MolecularWeight: 313.16084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(NC2=CC=CC=C2C(=O)N1CC3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

B1(NC2=CC=CC=C2C(=O)N1CC3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H16BN3O/c24-19-17-8-4-5-9-18(17)22-20(16-6-2-1-3-7-16)23(19)14-15-10-12-21-13-11-15/h1-13,22H,14H2