3-methoxy-N-[2-[(E)-3-pyridin-4-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-methoxy-N-[2-[(E)-3-pyridin-4-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-methoxy-N-[2-[(E)-3-(4-pyridyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-methoxy-N-[2-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-methoxy-N-[2-[(E)-3-pyridin-4-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-methoxy-N-[2-[(E)-3-(4-pyridyl)acryloyl]-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)C=CC3=CC=NC=C3)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)/C=C/C3=CC=NC=C3)C=C1

InChI

InChI=1S/C21H23N3O3/c1-27-13-9-20(25)23-19-4-3-17-8-12-24(15-18(17)14-19)21(26)5-2-16-6-10-22-11-7-16/h2-7,10-11,14H,8-9,12-13,15H2,1H3,(H,23,25)/b5-2+