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

Systemtic Name: (5-bromanyl-2-butoxy-phenyl)-[4-(5-bromanyl-2-butoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-bromo-2-butoxy-benzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-butoxy-phenyl)methanone CAS Name: (5-bromo-2-butoxyphenyl)-[4-[(5-bromo-2-butoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-bromo-2-butoxybenzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-butoxyphenyl)methanone Traditional Name: [4-(5-bromo-2-butoxy-benzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-butoxy-phenyl)methanone Formula: C27H34Br2N2O4 MolecularWeight: 610.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Br)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Br)OCCCC

InChI

InChI=1S/C27H34Br2N2O4/c1-3-5-16-34-24-10-8-20(28)18-22(24)26(32)30-12-7-13-31(15-14-30)27(33)23-19-21(29)9-11-25(23)35-17-6-4-2/h8-11,18-19H,3-7,12-17H2,1-2H3