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

Systemtic Name: 1-chloranyl-11-fluoranyl-5-methyl-6-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 6-benzyl-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 1-chloro-11-fluoro-5-methyl-6-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 6-benzyl-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 6-benzyl-1-chloro-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Formula: C20H16ClFN4O MolecularWeight: 382.818643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClFN4O/c1-26-18-13(7-12-5-3-2-4-6-12)8-15(27)9-14(18)10-16(22)25-17-19(21)23-11-24-20(17)26/h2-6,8-9,11,27H,7,10H2,1H3