N-(5-oxidanylidene-1,4-dihydropyrazol-3-yl)-4-[[1-oxidanylidene-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzamide

Systemtic Name: N-(5-oxidanylidene-1,4-dihydropyrazol-3-yl)-4-[[1-oxidanylidene-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzamide Openeye Name: N-(5-oxo-1,4-dihydropyrazol-3-yl)-4-[[1-oxo-7-(3-phenylprop-1-ynyl)-2-isoquinolyl]methyl]benzamide CAS Name: N-(5-oxo-1,4-dihydropyrazol-3-yl)-4-[[1-oxo-7-(3-phenylprop-1-ynyl)-2-isoquinolinyl]methyl]benzamide IUPAC Name: N-(5-oxo-1,4-dihydropyrazol-3-yl)-4-[[1-oxo-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzamide Traditional Name: 4-[[1-keto-7-(3-phenylprop-1-ynyl)-2-isoquinolyl]methyl]-N-(5-keto-2-pyrazolin-3-yl)benzamide Formula: C29H22N4O3 MolecularWeight: 474.50998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NN=C1NC(=O)C2=CC=C(C=C2)CN3C=CC4=C(C3=O)C=C(C=C4)C#CCC5=CC=CC=C5

Isomeric SMILES

C1C(=O)NN=C1NC(=O)C2=CC=C(C=C2)CN3C=CC4=C(C3=O)C=C(C=C4)C#CCC5=CC=CC=C5

InChI

InChI=1S/C29H22N4O3/c34-27-18-26(31-32-27)30-28(35)24-13-10-22(11-14-24)19-33-16-15-23-12-9-21(17-25(23)29(33)36)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-17H,7,18-19H2,(H,32,34)(H,30,31,35)