N-[4-[[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(3-bromo-4-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H26BrN3O3 MolecularWeight: 460.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H26BrN3O3/c1-16(27)24-19-7-4-17(5-8-19)15-25-10-3-11-26(13-12-25)22(28)18-6-9-21(29-2)20(23)14-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)