4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(3-pyridyl)ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(3-pyridyl)ethyl]benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCC3=CN=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCC3=CN=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-14-19(25(27)28)15(2)24(23-14)13-17-5-7-18(8-6-17)20(26)22-11-9-16-4-3-10-21-12-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,26)