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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-bromo-4-nitrophenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C20H23BrN4O3 MolecularWeight: 447.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN4O3/c21-18-13-17(25(27)28)7-8-19(18)22-20(26)15-24-10-4-9-23(11-12-24)14-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,22,26)