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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-7-bromanyl-1-benzofuran-2-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-7-bromo-benzofuran-2-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-7-bromo-2-benzofurancarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-7-bromo-1-benzofuran-2-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-7-bromo-coumarilamide Formula: C22H18BrN5O2 MolecularWeight: 464.31462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC4=C(O3)C(=CC=C4)Br)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC4=C(O3)C(=CC=C4)Br)C#N)N

InChI

InChI=1S/C22H18BrN5O2/c23-17-9-4-6-14-12-19(30-20(14)17)22(29)26-11-5-10-18-16(13-24)21(25)28(27-18)15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,25H2,(H,26,29)