4-(azepan-1-yl)-N-[2-(4-methylphenoxy)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(4-methylphenoxy)ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(4-methylphenoxy)ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(4-methylphenoxy)ethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-methylphenoxy)ethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(4-methylphenoxy)ethyl]-3-nitro-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-17-6-9-19(10-7-17)29-15-12-23-22(26)18-8-11-20(21(16-18)25(27)28)24-13-4-2-3-5-14-24/h6-11,16H,2-5,12-15H2,1H3,(H,23,26)