N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[1-(1-naphthylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[1-(1-naphthalenylmethyl)-3-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(1-naphthylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C21H20N6O3 MolecularWeight: 404.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=C1)CC2=CC=CC3=CC=CC=C32)N4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=NN(C=C1)CC2=CC=CC3=CC=CC=C32)N4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c1-2-19(26-14-17(12-22-26)27(29)30)21(28)23-20-10-11-25(24-20)13-16-8-5-7-15-6-3-4-9-18(15)16/h3-12,14,19H,2,13H2,1H3,(H,23,24,28)