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

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2-bromo-4-methylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-bromo-4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C18H19BrN4O MolecularWeight: 387.27366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O/c1-14-3-4-15(16(19)13-14)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+