8-bromanyl-1-chloranyl-11-fluoranyl-5-methyl-6-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 8-bromanyl-1-chloranyl-11-fluoranyl-5-methyl-6-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6-benzyl-8-bromo-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-bromo-1-chloro-11-fluoro-5-methyl-6-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6-benzyl-8-bromo-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6-benzyl-8-bromo-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C20H15BrClFN4 MolecularWeight: 445.715303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrClFN4/c1-27-18-13(7-12-5-3-2-4-6-12)8-15(21)9-14(18)10-16(23)26-17-19(22)24-11-25-20(17)27/h2-6,8-9,11H,7,10H2,1H3