(E)-3-(5-bromanyl-2-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H19BrN4O2/c1-25-16-5-4-15(19)13-14(16)3-6-17(24)22-9-11-23(12-10-22)18-20-7-2-8-21-18/h2-8,13H,9-12H2,1H3/b6-3+