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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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