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

Systemtic Name: 4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-methyl-3-nitro-N-veratryl-benzamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5/c1-24(16-17-8-11-21(30-2)22(14-17)31-3)23(27)18-9-10-19(20(15-18)26(28)29)25-12-6-4-5-7-13-25/h8-11,14-15H,4-7,12-13,16H2,1-3H3