3-bromanyl-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 3-bromo-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-keto-2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]ethyl]benzamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O2/c1-17-6-8-18(9-7-17)16-25-10-3-11-26(13-12-25)21(27)15-24-22(28)19-4-2-5-20(23)14-19/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,24,28)