(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-pyridin-3-yl-prop-2-enamide

Systemtic Name: (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-pyridin-3-yl-prop-2-enamide Openeye Name: (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-(3-pyridyl)prop-2-enamide CAS Name: (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(3-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-pyridin-3-ylprop-2-enamide Traditional Name: (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-3-(3-pyridyl)acrylamide Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C=CC1=CN=CC=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(CNC(=O)/C=C/C1=CN=CC=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25N3O/c1-21(2,24-13-11-18-7-3-4-8-19(18)15-24)16-23-20(25)10-9-17-6-5-12-22-14-17/h3-10,12,14H,11,13,15-16H2,1-2H3,(H,23,25)/b10-9+