N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-chloro-4-nitro-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-chloro-4-nitro-benzamide Formula: C20H16ClFN6O3 MolecularWeight: 442.830843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C#N)N)F

InChI

InChI=1S/C20H16ClFN6O3/c21-17-10-14(28(30)31)7-8-15(17)20(29)25-9-1-2-18-16(11-23)19(24)27(26-18)13-5-3-12(22)4-6-13/h3-8,10H,1-2,9,24H2,(H,25,29)