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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]acetamide IUPAC Name: 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C23H29BrN4O2 MolecularWeight: 473.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29BrN4O2/c1-18-14-20(24)8-9-21(18)26-22(29)15-25-23(30)17-28-11-5-10-27(12-13-28)16-19-6-3-2-4-7-19/h2-4,6-9,14H,5,10-13,15-17H2,1H3,(H,25,30)(H,26,29)