6-bromanyl-1-chloranyl-5-methyl-8-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 6-bromanyl-1-chloranyl-5-methyl-8-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 8-benzyl-6-bromo-1-chloro-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 6-bromo-1-chloro-5-methyl-8-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 8-benzyl-6-bromo-1-chloro-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 8-benzyl-6-bromo-1-chloro-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C20H16BrClN4O MolecularWeight: 443.72424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)Br

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)Br

InChI

InChI=1S/C20H16BrClN4O/c1-26-18-14(10-16(27)25-17-19(22)23-11-24-20(17)26)8-13(9-15(18)21)7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,25,27)