(E)-3-(3-chloranyl-4-methyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4-methyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-methyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4-methylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C18H19ClN4O MolecularWeight: 342.82266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C18H19ClN4O/c1-14-3-4-15(13-16(14)19)5-6-17(24)22-9-11-23(12-10-22)18-20-7-2-8-21-18/h2-8,13H,9-12H2,1H3/b6-5+