N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C23H29N3O5 MolecularWeight: 427.49346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H29N3O5/c1-30-21-15-19(20(26(28)29)16-22(21)31-2)23(27)24-12-11-17-7-9-18(10-8-17)25-13-5-3-4-6-14-25/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,24,27)