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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=N4

InChI

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