3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide CAS Name: 3-(3-methoxy-4-nitro-1-pyrazolyl)-N-[3-(1-pyrazolylmethyl)phenyl]propanamide IUPAC Name: 3-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propionamide Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C17H18N6O4/c1-27-17-15(23(25)26)12-22(20-17)9-6-16(24)19-14-5-2-4-13(10-14)11-21-8-3-7-18-21/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,19,24)