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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C22H19N3O2S/c26-21(9-8-19-4-3-13-28-19)25-12-10-16-6-7-18(14-17(16)15-25)24-22(27)20-5-1-2-11-23-20/h1-9,11,13-14H,10,12,15H2,(H,24,27)/b9-8+