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

Systemtic Name: 4-(azepan-1-yl)-N-(3-methylphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(m-tolyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3-methylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(m-tolyl)-3-nitro-benzamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-15-7-6-8-17(13-15)21-20(24)16-9-10-18(19(14-16)23(25)26)22-11-4-2-3-5-12-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,24)