(E)-3-(4-imidazol-1-ylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-imidazol-1-ylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-imidazol-1-ylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-imidazolyl)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-imidazol-1-ylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C20H20N6O MolecularWeight: 360.4124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C20H20N6O/c27-19(24-12-14-25(15-13-24)20-22-8-1-9-23-20)7-4-17-2-5-18(6-3-17)26-11-10-21-16-26/h1-11,16H,12-15H2/b7-4+