4-(azepan-1-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(2-pyridylmethyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(2-pyridylmethyl)benzamide Formula: C19H22N4O3 MolecularWeight: 354.40298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c24-19(21-14-16-7-3-4-10-20-16)15-8-9-17(18(13-15)23(25)26)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,21,24)