N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]quinoxaline-2-carboxamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]quinoxaline-2-carboxamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]quinoxaline-2-carboxamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]quinoxaline-2-carboxamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]quinoxaline-2-carboxamide Formula: C22H18FN7O MolecularWeight: 415.423023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN7O/c23-14-7-9-15(10-8-14)30-21(25)16(12-24)17(29-30)6-3-11-26-22(31)20-13-27-18-4-1-2-5-19(18)28-20/h1-2,4-5,7-10,13H,3,6,11,25H2,(H,26,31)