2-(1-chloranyl-11-fluoranyl-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol

Systemtic Name: 2-(1-chloranyl-11-fluoranyl-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-11-fluoro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-(1-chloro-11-fluoro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol IUPAC Name: 2-(1-chloro-11-fluoro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-(1-chloro-11-fluoro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Formula: C20H16ClFN4O2 MolecularWeight: 398.818043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)F)C=C(C=C2OC)C4=CC=CC=C4O

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)F)C=C(C=C2OC)C4=CC=CC=C4O

InChI

InChI=1S/C20H16ClFN4O2/c1-26-18-12(9-16(22)25-17-19(21)23-10-24-20(17)26)7-11(8-15(18)28-2)13-5-3-4-6-14(13)27/h3-8,10,27H,9H2,1-2H3