N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(p-tolyl)ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-2-(4-methylphenyl)ethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(p-tolyl)ethyl]-4-chloro-3-nitro-benzamide Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-16-6-8-17(9-7-16)21(25-12-4-2-3-5-13-25)15-24-22(27)18-10-11-19(23)20(14-18)26(28)29/h6-11,14,21H,2-5,12-13,15H2,1H3,(H,24,27)