N-(3-bromanyl-4-morpholin-4-yl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(3-bromanyl-4-morpholin-4-yl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3-bromo-4-morpholino-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3-bromo-4-(4-morpholinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(3-bromo-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-bromo-4-morpholino-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)Br)OC1

InChI

InChI=1S/C20H21BrN2O4/c21-16-13-15(3-4-17(16)23-6-10-25-11-7-23)22-20(24)14-2-5-18-19(12-14)27-9-1-8-26-18/h2-5,12-13H,1,6-11H2,(H,22,24)