azepan-1-yl-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[[(3-nitro-2-pyridyl)amino]methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[[(3-nitro-2-pyridyl)amino]methyl]phenyl]methanone Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c24-19(22-12-3-1-2-4-13-22)16-9-7-15(8-10-16)14-21-18-17(23(25)26)6-5-11-20-18/h5-11H,1-4,12-14H2,(H,20,21)