N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]methyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]methyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]methyl]-2-morpholino-5-nitro-benzamide Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C22H24N6O4/c1-15-11-16(2)27(25-15)21-6-3-17(13-23-21)14-24-22(29)19-12-18(28(30)31)4-5-20(19)26-7-9-32-10-8-26/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,29)