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

Systemtic Name: 4-(azepan-1-yl)-N-cyclooctyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-cyclooctyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-cyclooctyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-cyclooctyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-cyclooctyl-3-nitro-benzamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O3/c25-21(22-18-10-6-2-1-3-7-11-18)17-12-13-19(20(16-17)24(26)27)23-14-8-4-5-9-15-23/h12-13,16,18H,1-11,14-15H2,(H,22,25)