N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H17BrClFN6O3 MolecularWeight: 499.721383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=C1Br)CC2=C(C=CC=C2Cl)F)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=NN(C=C1Br)CC2=C(C=CC=C2Cl)F)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17BrClFN6O3/c1-3-15(26-10(2)7-16(23-26)27(29)30)18(28)22-17-12(19)9-25(24-17)8-11-13(20)5-4-6-14(11)21/h4-7,9,15H,3,8H2,1-2H3,(H,22,24,28)