4-(azepan-1-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(4-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-3-nitro-benzamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-27-17-9-7-16(8-10-17)21-20(24)15-6-11-18(19(14-15)23(25)26)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,24)