(5-bromanyl-2-methoxy-phenyl)-[4-(5-bromanyl-2-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)-[4-(5-bromanyl-2-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-bromo-2-methoxy-benzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-methoxy-phenyl)methanone CAS Name: (5-bromo-2-methoxyphenyl)-[4-[(5-bromo-2-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-bromo-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-methoxyphenyl)methanone Traditional Name: [4-(5-bromo-2-methoxy-benzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-methoxy-phenyl)methanone Formula: C21H22Br2N2O4 MolecularWeight: 526.21838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H22Br2N2O4/c1-28-18-6-4-14(22)12-16(18)20(26)24-8-3-9-25(11-10-24)21(27)17-13-15(23)5-7-19(17)29-2/h4-7,12-13H,3,8-11H2,1-2H3