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

Systemtic Name: 2-(1-chloranyl-6-ethoxy-11-fluoranyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-6-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-(1-chloro-6-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol IUPAC Name: 2-(1-chloro-6-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-(1-chloro-6-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Formula: C21H18ClFN4O2 MolecularWeight: 412.844623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)N=C(C2)F)C)C4=CC=CC=C4O

Isomeric SMILES

CCOC1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)N=C(C2)F)C)C4=CC=CC=C4O

InChI

InChI=1S/C21H18ClFN4O2/c1-3-29-16-9-12(14-6-4-5-7-15(14)28)8-13-10-17(23)26-18-20(22)24-11-25-21(18)27(2)19(13)16/h4-9,11,28H,3,10H2,1-2H3