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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OCC

InChI

InChI=1S/C23H29N3O5/c1-3-30-21-12-10-18(16-22(21)31-4-2)24-23(27)17-9-11-19(20(15-17)26(28)29)25-13-7-5-6-8-14-25/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,24,27)