2-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]phenol hydrochloride

Systemtic Name: 2-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]phenol hydrochloride Openeye Name: 2-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)allyl]piperazin-1-yl]phenol hydrochloride CAS Name: 2-[4-[(E)-3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]prop-2-enyl]-1-piperazinyl]phenol hydrochloride IUPAC Name: 2-[4-[(E)-3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)prop-2-enyl]piperazin-1-yl]phenol hydrochloride Traditional Name: 2-[4-[(E)-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]allyl]piperazino]phenol hydrochloride Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C=CCN3CCN(CC3)C4=CC=CC=C4O.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)/C=C/CN3CCN(CC3)C4=CC=CC=C4O.Cl

InChI

InChI=1S/C21H24N6O.ClH/c1-17-18(16-24-27(17)21-22-9-5-10-23-21)6-4-11-25-12-14-26(15-13-25)19-7-2-3-8-20(19)28;/h2-10,16,28H,11-15H2,1H3;1H/b6-4+;