N-[3-(azepan-1-yl)propyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-methyl-4-nitro-benzamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCCN2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCCN2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O3/c1-14-13-15(7-8-16(14)20(22)23)17(21)18-9-6-12-19-10-4-2-3-5-11-19/h7-8,13H,2-6,9-12H2,1H3,(H,18,21)