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

Systemtic Name: 2-[5-methyl-4-[(E)-3-[4-(2-methylphenyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine Openeye Name: 2-[5-methyl-4-[(E)-3-[4-(o-tolyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine CAS Name: 2-[5-methyl-4-[(E)-3-[4-(2-methylphenyl)-1-piperazinyl]prop-1-enyl]-1-pyrazolyl]pyrimidine IUPAC Name: 2-[5-methyl-4-[(E)-3-[4-(2-methylphenyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine Traditional Name: 2-[5-methyl-4-[(E)-3-[4-(o-tolyl)piperazino]prop-1-enyl]pyrazol-1-yl]pyrimidine Formula: C22H26N6 MolecularWeight: 374.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC=CC3=C(N(N=C3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C/C=C/C3=C(N(N=C3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H26N6/c1-18-7-3-4-9-21(18)27-15-13-26(14-16-27)12-5-8-20-17-25-28(19(20)2)22-23-10-6-11-24-22/h3-11,17H,12-16H2,1-2H3/b8-5+