N-[3-[4-(azepan-1-yl)phenyl]propyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCC2=CC=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCC2=CC=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H31N3O5/c1-31-22-16-20(21(27(29)30)17-23(22)32-2)24(28)25-13-7-8-18-9-11-19(12-10-18)26-14-5-3-4-6-15-26/h9-12,16-17H,3-8,13-15H2,1-2H3,(H,25,28)