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

Systemtic Name: N-[2-[3-(1,2,4-triazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[3-(1,2,4-triazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[3-(1,2,4-triazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[3-(1,2,4-triazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)CCN4C=NC=N4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)CCN4C=NC=N4

InChI

InChI=1S/C20H20N6O2/c27-19(6-10-26-14-22-13-23-26)25-9-5-15-1-2-18(11-17(15)12-25)24-20(28)16-3-7-21-8-4-16/h1-4,7-8,11,13-14H,5-6,9-10,12H2,(H,24,28)