N-[2-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-(piazthiol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C22H19N5OS/c28-22(17-5-8-23-9-6-17)24-19-3-2-16-7-10-27(14-18(16)12-19)13-15-1-4-20-21(11-15)26-29-25-20/h1-6,8-9,11-12H,7,10,13-14H2,(H,24,28)