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

Systemtic Name: 4-(3-bromanylphenoxy)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Openeye Name: 4-(3-bromophenoxy)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine CAS Name: 4-(3-bromophenoxy)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine IUPAC Name: 4-(3-bromophenoxy)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Traditional Name: 4-(3-bromophenoxy)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC3=C(O2)N=CN=C3OC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC3=C(O2)N=CN=C3OC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C19H16BrN3O4/c1-24-15-6-11-9-21-17-18(26-13-5-3-4-12(20)7-13)22-10-23-19(17)27-14(11)8-16(15)25-2/h3-8,10,21H,9H2,1-2H3