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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(2-pyridyl)ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[1-(2-pyridinyl)ethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(2-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)NC(C)C3=CC=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)C3=CC=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-13(18-6-4-5-11-21-18)22-20(26)17-9-7-16(8-10-17)12-24-15(3)19(25(27)28)14(2)23-24/h4-11,13H,12H2,1-3H3,(H,22,26)