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

Systemtic Name: 1-chloranyl-11-fluoranyl-6-iodanyl-5-methyl-8-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-benzyl-1-chloro-11-fluoro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-fluoro-6-iodo-5-methyl-8-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-benzyl-1-chloro-11-fluoro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-benzyl-1-chloro-11-fluoro-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C20H15ClFIN4 MolecularWeight: 492.715773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClFIN4/c1-27-18-14(10-16(22)26-17-19(21)24-11-25-20(17)27)8-13(9-15(18)23)7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3