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

Systemtic Name: 4-azanyl-N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-nitro-benzamide CAS Name: 4-amino-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-nitro-benzamide Formula: C20H18FN7O3 MolecularWeight: 423.400423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN7O3/c21-13-4-6-14(7-5-13)27-19(24)15(11-22)17(26-27)2-1-9-25-20(29)12-3-8-16(23)18(10-12)28(30)31/h3-8,10H,1-2,9,23-24H2,(H,25,29)