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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(methylamino)-3-nitro-benzamide Formula: C21H20FN7O3 MolecularWeight: 437.427003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN7O3/c1-25-18-9-4-13(11-19(18)29(31)32)21(30)26-10-2-3-17-16(12-23)20(24)28(27-17)15-7-5-14(22)6-8-15/h4-9,11,25H,2-3,10,24H2,1H3,(H,26,30)