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

Systemtic Name: (5-bromanyl-2-hexoxy-phenyl)-[4-(5-bromanyl-2-hexoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-bromo-2-hexoxy-benzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-hexoxy-phenyl)methanone CAS Name: (5-bromo-2-hexoxyphenyl)-[4-[(5-bromo-2-hexoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-bromo-2-hexoxybenzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-hexoxyphenyl)methanone Traditional Name: [4-(5-bromo-2-hexoxy-benzoyl)-1,4-diazepan-1-yl]-(5-bromo-2-hexoxy-phenyl)methanone Formula: C31H42Br2N2O4 MolecularWeight: 666.48418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Br)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Br)OCCCCCC

InChI

InChI=1S/C31H42Br2N2O4/c1-3-5-7-9-20-38-28-14-12-24(32)22-26(28)30(36)34-16-11-17-35(19-18-34)31(37)27-23-25(33)13-15-29(27)39-21-10-8-6-4-2/h12-15,22-23H,3-11,16-21H2,1-2H3