4-(azepan-1-yl)-N-(4-ethanoylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-ethanoylphenyl)-3-nitro-benzamide Openeye Name: N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitro-benzamide CAS Name: N-(4-acetylphenyl)-4-(1-azepanyl)-3-nitrobenzamide IUPAC Name: N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitrobenzamide Traditional Name: N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitro-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-15(25)16-6-9-18(10-7-16)22-21(26)17-8-11-19(20(14-17)24(27)28)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,26)