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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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