4-(azepan-1-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(5-bromo-2-methoxy-benzyl)-N-methyl-3-nitro-benzamide Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26BrN3O4/c1-24(15-17-13-18(23)8-10-21(17)30-2)22(27)16-7-9-19(20(14-16)26(28)29)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3