N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=C1Cl)CC2=CC=CC=C2)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=NN(C=C1Cl)CC2=CC=CC=C2)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN6O3/c1-2-15(23-10-13(8-19-23)24(26)27)17(25)20-16-14(18)11-22(21-16)9-12-6-4-3-5-7-12/h3-8,10-11,15H,2,9H2,1H3,(H,20,21,25)