(3-bromanyl-4-butoxy-phenyl)-[4-(3-bromanyl-4-butoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-4-butoxy-phenyl)-[4-(3-bromanyl-4-butoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(3-bromo-4-butoxy-benzoyl)-1,4-diazepan-1-yl]-(3-bromo-4-butoxy-phenyl)methanone CAS Name: (3-bromo-4-butoxyphenyl)-[4-[(3-bromo-4-butoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(3-bromo-4-butoxybenzoyl)-1,4-diazepan-1-yl]-(3-bromo-4-butoxyphenyl)methanone Traditional Name: [4-(3-bromo-4-butoxy-benzoyl)-1,4-diazepan-1-yl]-(3-bromo-4-butoxy-phenyl)methanone Formula: C27H34Br2N2O4 MolecularWeight: 610.37786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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