4-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-homoveratryl-N-methyl-3-nitro-benzamide Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O5/c1-25(15-12-18-8-11-22(31-2)23(16-18)32-3)24(28)19-9-10-20(21(17-19)27(29)30)26-13-6-4-5-7-14-26/h8-11,16-17H,4-7,12-15H2,1-3H3