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

Systemtic Name: 4-[[1-oxidanylidene-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]-N-piperidin-1-yl-benzamide Openeye Name: 4-[[1-oxo-7-(3-phenylprop-1-ynyl)-2-isoquinolyl]methyl]-N-(1-piperidyl)benzamide CAS Name: 4-[[1-oxo-7-(3-phenylprop-1-ynyl)-2-isoquinolinyl]methyl]-N-(1-piperidinyl)benzamide IUPAC Name: 4-[[1-oxo-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]-N-piperidin-1-ylbenzamide Traditional Name: 4-[[1-keto-7-(3-phenylprop-1-ynyl)-2-isoquinolyl]methyl]-N-piperidino-benzamide Formula: C31H29N3O2 MolecularWeight: 475.58086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=CC=C(C=C2)CN3C=CC4=C(C3=O)C=C(C=C4)C#CCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=CC=C(C=C2)CN3C=CC4=C(C3=O)C=C(C=C4)C#CCC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O2/c35-30(32-34-19-5-2-6-20-34)28-16-13-26(14-17-28)23-33-21-18-27-15-12-25(22-29(27)31(33)36)11-7-10-24-8-3-1-4-9-24/h1,3-4,8-9,12-18,21-22H,2,5-6,10,19-20,23H2,(H,32,35)