N-[4-[[4-(2-bromanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-bromanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-bromo-3-methyl-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(2-bromo-3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-bromo-3-methylbenzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2-bromo-3-methyl-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1Br)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1Br)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H26BrN3O2/c1-16-5-3-6-20(21(16)23)22(28)26-12-4-11-25(13-14-26)15-18-7-9-19(10-8-18)24-17(2)27/h3,5-10H,4,11-15H2,1-2H3,(H,24,27)