(E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-[2-methyl-6-(1-pyrazolyl)-4-pyrimidinyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C23H26N6O3 MolecularWeight: 434.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)OC)OC)N4C=CC=N4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)N4C=CC=N4

InChI

InChI=1S/C23H26N6O3/c1-17-25-21(16-22(26-17)29-10-4-9-24-29)27-11-13-28(14-12-27)23(30)8-6-18-5-7-19(31-2)20(15-18)32-3/h4-10,15-16H,11-14H2,1-3H3/b8-6+