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

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

C1=CC=C2C(=C1)C=CN=C2C(=O)NCCC3=NC(=NN3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C(=O)NCCC3=NC(=NN3)C4=CN=CC=C4

InChI

InChI=1S/C19H16N6O/c26-19(17-15-6-2-1-4-13(15)7-10-21-17)22-11-8-16-23-18(25-24-16)14-5-3-9-20-12-14/h1-7,9-10,12H,8,11H2,(H,22,26)(H,23,24,25)