N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-yl]-3-nitro-benzamide

Systemtic Name: N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-yl]-3-nitro-benzamide Openeye Name: N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridyl]-3-nitro-benzamide CAS Name: N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-3-nitrobenzamide IUPAC Name: N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-yl]-3-nitrobenzamide Traditional Name: N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridyl]-3-nitro-benzamide Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1N(CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3/c25-19(14-2-1-3-17(12-14)24(26)27)21-15-4-5-18(20-13-15)23-11-10-22-8-6-16(23)7-9-22/h1-5,12-13,16H,6-11H2,(H,21,25)