4-(azepan-1-yl)-N-[3-(2-methylpropoxy)propyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[3-(2-methylpropoxy)propyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3-isobutoxypropyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[3-(2-methylpropoxy)propyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[3-(2-methylpropoxy)propyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3-isobutoxypropyl)-3-nitro-benzamide Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCCNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COCCCNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H31N3O4/c1-16(2)15-27-13-7-10-21-20(24)17-8-9-18(19(14-17)23(25)26)22-11-5-3-4-6-12-22/h8-9,14,16H,3-7,10-13,15H2,1-2H3,(H,21,24)