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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1CCN(C2)CC=CC3=C(NN=C3)C4=NC=CC=N4.Cl

Isomeric SMILES

CC1=CC=CC2=C1CCN(C2)C/C=C/C3=C(NN=C3)C4=NC=CC=N4.Cl

InChI

InChI=1S/C20H21N5.ClH/c1-15-5-2-6-17-14-25(12-8-18(15)17)11-3-7-16-13-23-24-19(16)20-21-9-4-10-22-20;/h2-7,9-10,13H,8,11-12,14H2,1H3,(H,23,24);1H/b7-3+;