(E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-N-quinolin-5-yl-prop-2-enamide hydrochloride

Systemtic Name: (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-N-quinolin-5-yl-prop-2-enamide hydrochloride Openeye Name: (E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-N-(5-quinolyl)prop-2-enamide hydrochloride CAS Name: (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-N-(5-quinolinyl)-2-propenamide hydrochloride IUPAC Name: (E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-quinolin-5-ylprop-2-enamide hydrochloride Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-N-(5-quinolyl)acrylamide hydrochloride Formula: C26H18ClN5OS MolecularWeight: 483.97202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C#N)C(=O)NC4=CC=CC5=C4C=CC=N5.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C(\C#N)/C(=O)NC4=CC=CC5=C4C=CC=N5.Cl

InChI

InChI=1S/C26H17N5OS.ClH/c27-16-18(26(32)29-23-11-4-10-22-21(23)9-5-13-28-22)15-19-17-31(20-7-2-1-3-8-20)30-25(19)24-12-6-14-33-24;/h1-15,17H,(H,29,32);1H/b18-15+;