(E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O2/c1-15(2)22-24-16(3)13-20(25-22)26-9-11-27(12-10-26)21(28)8-5-17-14-18(23)6-7-19(17)29-4/h5-8,13-15H,9-12H2,1-4H3/b8-5+