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

Systemtic Name: (3-bromanyl-4-propoxy-phenyl)-[4-(3-bromanyl-4-propoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(3-bromo-4-propoxy-benzoyl)-1,4-diazepan-1-yl]-(3-bromo-4-propoxy-phenyl)methanone CAS Name: (3-bromo-4-propoxyphenyl)-[4-[(3-bromo-4-propoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(3-bromo-4-propoxybenzoyl)-1,4-diazepan-1-yl]-(3-bromo-4-propoxyphenyl)methanone Traditional Name: [4-(3-bromo-4-propoxy-benzoyl)-1,4-diazepan-1-yl]-(3-bromo-4-propoxy-phenyl)methanone Formula: C25H30Br2N2O4 MolecularWeight: 582.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OCCC)Br)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OCCC)Br)Br

InChI

InChI=1S/C25H30Br2N2O4/c1-3-14-32-22-8-6-18(16-20(22)26)24(30)28-10-5-11-29(13-12-28)25(31)19-7-9-23(21(27)17-19)33-15-4-2/h6-9,16-17H,3-5,10-15H2,1-2H3