4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-pyrrolidin-1-yl-3-pyridyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-pyrrolidino-3-pyridyl)benzamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-15-21(28(30)31)16(2)27(25-15)14-17-5-7-18(8-6-17)22(29)24-19-9-10-20(23-13-19)26-11-3-4-12-26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,29)