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

Systemtic Name: 3-bromanyl-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-keto-2-(4-p-anisyl-1,4-diazepan-1-yl)ethyl]benzamide Formula: C22H26BrN3O3 MolecularWeight: 460.36414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H26BrN3O3/c1-29-20-8-6-17(7-9-20)16-25-10-3-11-26(13-12-25)21(27)15-24-22(28)18-4-2-5-19(23)14-18/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,24,28)