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

Systemtic Name: 2-[4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-(phenylmethyl)pyrazol-1-yl]pyrimidine Openeye Name: 2-[5-benzyl-4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine CAS Name: 2-[4-[(E)-3-[4-(3-chlorophenyl)-1-piperazinyl]prop-1-enyl]-5-(phenylmethyl)-1-pyrazolyl]pyrimidine IUPAC Name: 2-[5-benzyl-4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine Traditional Name: 2-[5-benzyl-4-[(E)-3-[4-(3-chlorophenyl)piperazino]prop-1-enyl]pyrazol-1-yl]pyrimidine Formula: C27H27ClN6 MolecularWeight: 470.99648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=C(N(N=C2)C3=NC=CC=N3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=C(N(N=C2)C3=NC=CC=N3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H27ClN6/c28-24-10-4-11-25(20-24)33-17-15-32(16-18-33)14-5-9-23-21-31-34(27-29-12-6-13-30-27)26(23)19-22-7-2-1-3-8-22/h1-13,20-21H,14-19H2/b9-5+