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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(dimethylamino)-3-nitro-benzamide Formula: C22H22FN7O3 MolecularWeight: 451.453583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=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/C22H22FN7O3/c1-28(2)19-10-5-14(12-20(19)30(32)33)22(31)26-11-3-4-18-17(13-24)21(25)29(27-18)16-8-6-15(23)7-9-16/h5-10,12H,3-4,11,25H2,1-2H3,(H,26,31)