N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-bromanyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-bromanyl-1-benzofuran-2-carboxamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-bromo-benzofuran-2-carboxamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-7-bromo-2-benzofurancarboxamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-bromo-1-benzofuran-2-carboxamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-bromo-coumarilamide Formula: C22H17BrFN5O2 MolecularWeight: 482.305083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)OC(=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC2=C(C(=C1)Br)OC(=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17BrFN5O2/c23-17-4-1-3-13-11-19(31-20(13)17)22(30)27-10-2-5-18-16(12-25)21(26)29(28-18)15-8-6-14(24)7-9-15/h1,3-4,6-9,11H,2,5,10,26H2,(H,27,30)