2-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 2-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 2-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)allyl]-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 2-[(E)-3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]prop-2-enyl]-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 2-[(E)-3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)prop-2-enyl]-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 2-[(E)-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]allyl]-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C20H22ClN5 MolecularWeight: 367.87518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C=CCN3CCC4=CC=CC=C4C3.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)/C=C/CN3CCC4=CC=CC=C4C3.Cl

InChI

InChI=1S/C20H21N5.ClH/c1-16-18(14-23-25(16)20-21-10-5-11-22-20)8-4-12-24-13-9-17-6-2-3-7-19(17)15-24;/h2-8,10-11,14H,9,12-13,15H2,1H3;1H/b8-4+;