N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]isoquinoline-1-carboxamide

Systemtic Name: N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]isoquinoline-1-carboxamide Openeye Name: N-[1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]isoquinoline-1-carboxamide CAS Name: N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-isoquinolinecarboxamide IUPAC Name: N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]isoquinoline-1-carboxamide Traditional Name: N-[1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]isoquinoline-1-carboxamide Formula: C19H16N6O MolecularWeight: 344.36994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NN1)C2=CC=NC=C2)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C1=NC(=NN1)C2=CC=NC=C2)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C19H16N6O/c1-12(17-23-18(25-24-17)14-6-9-20-10-7-14)22-19(26)16-15-5-3-2-4-13(15)8-11-21-16/h2-12H,1H3,(H,22,26)(H,23,24,25)