7-bromanyl-1-(phenylmethyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-1-(phenylmethyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-benzyl-7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-1-(phenylmethyl)-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-benzyl-7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-benzyl-7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one Formula: C21H16BrN3O MolecularWeight: 406.27524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H16BrN3O/c22-16-9-10-19-17(12-16)21(18-8-4-5-11-23-18)24-13-20(26)25(19)14-15-6-2-1-3-7-15/h1-12H,13-14H2