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

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H16ClFN6O3 MolecularWeight: 406.798743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN6O3/c1-2-16(24-10-14(7-21-24)25(27)28)17(26)22-13-6-20-23(9-13)8-11-3-4-12(19)5-15(11)18/h3-7,9-10,16H,2,8H2,1H3,(H,22,26)