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

Systemtic Name: N-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(E)-3-(2-thienyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(E)-3-(2-thienyl)acryloyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C22H19N3O2S MolecularWeight: 389.47016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C22H19N3O2S/c26-21(6-5-20-2-1-13-28-20)25-12-9-16-3-4-19(14-18(16)15-25)24-22(27)17-7-10-23-11-8-17/h1-8,10-11,13-14H,9,12,15H2,(H,24,27)/b6-5+