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

Systemtic Name: N-[2-[4-(1,2,4-triazol-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[4-(1,2,4-triazol-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[1-oxo-4-(1,2,4-triazol-1-yl)butyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[4-(1,2,4-triazol-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[4-(1,2,4-triazol-1-yl)butanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)CCCN4C=NC=N4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)CCCN4C=NC=N4

InChI

InChI=1S/C21H22N6O2/c28-20(2-1-10-27-15-23-14-24-27)26-11-7-16-3-4-19(12-18(16)13-26)25-21(29)17-5-8-22-9-6-17/h3-6,8-9,12,14-15H,1-2,7,10-11,13H2,(H,25,29)