3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(1-pyrazolylmethyl)phenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propionamide Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3/c1-13-18(24(26)27)14(2)23(21-13)10-7-17(25)20-16-6-3-5-15(11-16)12-22-9-4-8-19-22/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,20,25)