4-[3-(azepan-1-yl)propylamino]-N-(3-fluoranyl-4-methyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-[3-(azepan-1-yl)propylamino]-N-(3-fluoranyl-4-methyl-phenyl)-3-nitro-benzamide Openeye Name: 4-[3-(azepan-1-yl)propylamino]-N-(3-fluoro-4-methyl-phenyl)-3-nitro-benzamide CAS Name: 4-[3-(1-azepanyl)propylamino]-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-[3-(azepan-1-yl)propylamino]-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide Traditional Name: 4-[3-(azepan-1-yl)propylamino]-N-(3-fluoro-4-methyl-phenyl)-3-nitro-benzamide Formula: C23H29FN4O3 MolecularWeight: 428.499763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN3CCCCCC3)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN3CCCCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C23H29FN4O3/c1-17-7-9-19(16-20(17)24)26-23(29)18-8-10-21(22(15-18)28(30)31)25-11-6-14-27-12-4-2-3-5-13-27/h7-10,15-16,25H,2-6,11-14H2,1H3,(H,26,29)