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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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