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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C23H19FN8O3 MolecularWeight: 474.447163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])C#N)N)F

InChI

InChI=1S/C23H19FN8O3/c24-16-4-6-17(7-5-16)31-22(26)18(13-25)19(29-31)2-1-9-28-23(33)15-3-8-20(21(12-15)32(34)35)30-11-10-27-14-30/h3-8,10-12,14H,1-2,9,26H2,(H,28,33)