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

Systemtic Name: 4-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-28-19-10-8-16(14-20(19)29-2)22-21(25)15-7-9-17(18(13-15)24(26)27)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)