N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[4-bromo-1-(4-fluorobenzyl)pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H18BrFN6O3 MolecularWeight: 465.276323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=C1Br)CC2=CC=C(C=C2)F)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=NN(C=C1Br)CC2=CC=C(C=C2)F)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18BrFN6O3/c1-3-15(25-11(2)8-16(22-25)26(28)29)18(27)21-17-14(19)10-24(23-17)9-12-4-6-13(20)7-5-12/h4-8,10,15H,3,9H2,1-2H3,(H,21,23,27)