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

Systemtic Name: 2-[5-methyl-4-[(E)-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine Openeye Name: 2-[4-[(E)-3-(4-benzylpiperazin-1-yl)prop-1-enyl]-5-methyl-pyrazol-1-yl]pyrimidine CAS Name: 2-[5-methyl-4-[(E)-3-[4-(phenylmethyl)-1-piperazinyl]prop-1-enyl]-1-pyrazolyl]pyrimidine IUPAC Name: 2-[4-[(E)-3-(4-benzylpiperazin-1-yl)prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidine Traditional Name: 2-[4-[(E)-3-(4-benzylpiperazino)prop-1-enyl]-5-methyl-pyrazol-1-yl]pyrimidine Formula: C22H26N6 MolecularWeight: 374.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C=CCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)/C=C/CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N6/c1-19-21(17-25-28(19)22-23-10-6-11-24-22)9-5-12-26-13-15-27(16-14-26)18-20-7-3-2-4-8-20/h2-11,17H,12-16,18H2,1H3/b9-5+