4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid hydrochloride

Systemtic Name: 4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid hydrochloride Openeye Name: 4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid hydrochloride CAS Name: 4-[[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid hydrochloride Traditional Name: 4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid hydrochloride Formula: C25H18ClN3O4 MolecularWeight: 459.88112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C(=O)NC5=CC=C(C=C5)C(=O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C(=O)NC5=CC=C(C=C5)C(=O)O.Cl

InChI

InChI=1S/C25H17N3O4.ClH/c29-24(26-18-12-10-16(11-13-18)25(30)31)20-15-28(19-7-2-1-3-8-19)27-23(20)22-14-17-6-4-5-9-21(17)32-22;/h1-15H,(H,26,29)(H,30,31);1H