N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazolyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H18ClFN6O3 MolecularWeight: 420.825323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=C1)CC2=C(C=C(C=C2)F)Cl)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=NN(C=C1)CC2=C(C=C(C=C2)F)Cl)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18ClFN6O3/c1-3-15(25-11(2)8-17(23-25)26(28)29)18(27)21-16-6-7-24(22-16)10-12-4-5-13(20)9-14(12)19/h4-9,15H,3,10H2,1-2H3,(H,21,22,27)