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

Systemtic Name: 2-chloranyl-4-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)prop-2-enyl]piperazin-1-yl]phenol Openeye Name: 2-chloro-4-[4-[(E)-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)allyl]piperazin-1-yl]phenol CAS Name: 2-chloro-4-[4-[(E)-3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]prop-2-enyl]-1-piperazinyl]phenol IUPAC Name: 2-chloro-4-[4-[(E)-3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)prop-2-enyl]piperazin-1-yl]phenol Traditional Name: 2-chloro-4-[4-[(E)-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]allyl]piperazino]phenol Formula: C21H23ClN6O MolecularWeight: 410.89992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN6O/c1-16-17(15-25-28(16)21-23-7-3-8-24-21)4-2-9-26-10-12-27(13-11-26)18-5-6-20(29)19(22)14-18/h2-8,14-15,29H,9-13H2,1H3/b4-2+