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

Systemtic Name: N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-(benzofurazan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C22H19N5O2/c28-22(16-6-9-23-10-7-16)24-19-5-4-15-8-11-27(14-18(15)12-19)13-17-2-1-3-20-21(17)26-29-25-20/h1-7,9-10,12H,8,11,13-14H2,(H,24,28)