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

Systemtic Name: 3-bromanyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-3-bromo-benzamide CAS Name: 3-bromo-N-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide IUPAC Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-3-bromobenzamide Traditional Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-3-bromo-benzamide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC(=CC=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC(=CC=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O2/c22-19-9-4-8-18(14-19)21(27)23-15-20(26)25-11-5-10-24(12-13-25)16-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15-16H2,(H,23,27)