4-(azepan-1-yl)-N-(5-tert-butyl-2-methoxy-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(5-tert-butyl-2-methoxy-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(5-tert-butyl-2-methoxy-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(5-tert-butyl-2-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(5-tert-butyl-2-methoxy-phenyl)-3-nitro-benzamide Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-24(2,3)18-10-12-22(31-4)19(16-18)25-23(28)17-9-11-20(21(15-17)27(29)30)26-13-7-5-6-8-14-26/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,28)