N-[4-(azepan-1-yl)phenyl]-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(methylamino)-5-nitro-benzamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H24N4O3/c1-21-19-11-10-17(24(26)27)14-18(19)20(25)22-15-6-8-16(9-7-15)23-12-4-2-3-5-13-23/h6-11,14,21H,2-5,12-13H2,1H3,(H,22,25)