2-[4-[(E)-3-[4-(3-bromophenyl)piperazin-1-yl]prop-1-enyl]-5-methyl-pyrazol-1-yl]pyrimidine

Systemtic Name: 2-[4-[(E)-3-[4-(3-bromophenyl)piperazin-1-yl]prop-1-enyl]-5-methyl-pyrazol-1-yl]pyrimidine Openeye Name: 2-[4-[(E)-3-[4-(3-bromophenyl)piperazin-1-yl]prop-1-enyl]-5-methyl-pyrazol-1-yl]pyrimidine CAS Name: 2-[4-[(E)-3-[4-(3-bromophenyl)-1-piperazinyl]prop-1-enyl]-5-methyl-1-pyrazolyl]pyrimidine IUPAC Name: 2-[4-[(E)-3-[4-(3-bromophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidine Traditional Name: 2-[4-[(E)-3-[4-(3-bromophenyl)piperazino]prop-1-enyl]-5-methyl-pyrazol-1-yl]pyrimidine Formula: C21H23BrN6 MolecularWeight: 439.35152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN6/c1-17-18(16-25-28(17)21-23-8-4-9-24-21)5-3-10-26-11-13-27(14-12-26)20-7-2-6-19(22)15-20/h2-9,15-16H,10-14H2,1H3/b5-3+