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

Systemtic Name: N-[2-(2-thiophen-3-ylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[2-(3-thienyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[1-oxo-2-(3-thiophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(2-thiophen-3-ylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[2-(3-thienyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)CC4=CSC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)CC4=CSC=C4

InChI

InChI=1S/C21H19N3O2S/c25-20(11-15-6-10-27-14-15)24-9-5-16-1-2-19(12-18(16)13-24)23-21(26)17-3-7-22-8-4-17/h1-4,6-8,10,12,14H,5,9,11,13H2,(H,23,26)