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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C21H26BrN3O MolecularWeight: 416.35464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O/c1-17-14-19(8-9-20(17)22)23-21(26)16-25-11-5-10-24(12-13-25)15-18-6-3-2-4-7-18/h2-4,6-9,14H,5,10-13,15-16H2,1H3,(H,23,26)