4-(3-bromanylphenoxy)-8,9-dimethoxy-5-methyl-6H-pyrimido[4,5-b][1,4]benzoxazepine

Systemtic Name: 4-(3-bromanylphenoxy)-8,9-dimethoxy-5-methyl-6H-pyrimido[4,5-b][1,4]benzoxazepine Openeye Name: 4-(3-bromophenoxy)-8,9-dimethoxy-5-methyl-6H-pyrimido[4,5-b][1,4]benzoxazepine CAS Name: 4-(3-bromophenoxy)-8,9-dimethoxy-5-methyl-6H-pyrimido[4,5-b][1,4]benzoxazepine IUPAC Name: 4-(3-bromophenoxy)-8,9-dimethoxy-5-methyl-6H-pyrimido[4,5-b][1,4]benzoxazepine Traditional Name: 4-(3-bromophenoxy)-8,9-dimethoxy-5-methyl-6H-pyrimido[4,5-b][1,4]benzoxazepine Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC(=C(C=C2OC3=C1C(=NC=N3)OC4=CC(=CC=C4)Br)OC)OC

Isomeric SMILES

CN1CC2=CC(=C(C=C2OC3=C1C(=NC=N3)OC4=CC(=CC=C4)Br)OC)OC

InChI

InChI=1S/C20H18BrN3O4/c1-24-10-12-7-16(25-2)17(26-3)9-15(12)28-20-18(24)19(22-11-23-20)27-14-6-4-5-13(21)8-14/h4-9,11H,10H2,1-3H3