(E)-7-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-1-(2-methoxypyrimidin-5-yl)hept-1-en-3-one

Systemtic Name: (E)-7-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-1-(2-methoxypyrimidin-5-yl)hept-1-en-3-one Openeye Name: (E)-7-[6-[(4-methoxyphenyl)methylamino]-2-pyridyl]-1-(2-methoxypyrimidin-5-yl)hept-1-en-3-one CAS Name: (E)-7-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-1-(2-methoxy-5-pyrimidinyl)-1-hepten-3-one IUPAC Name: (E)-7-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-1-(2-methoxypyrimidin-5-yl)hept-1-en-3-one Traditional Name: (E)-1-(2-methoxypyrimidin-5-yl)-7-[6-(p-anisylamino)-2-pyridyl]hept-1-en-3-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=CC=CC(=N2)CCCCC(=O)C=CC3=CN=C(N=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=CC=CC(=N2)CCCCC(=O)/C=C/C3=CN=C(N=C3)OC

InChI

InChI=1S/C25H28N4O3/c1-31-23-14-11-19(12-15-23)16-26-24-9-5-7-21(29-24)6-3-4-8-22(30)13-10-20-17-27-25(32-2)28-18-20/h5,7,9-15,17-18H,3-4,6,8,16H2,1-2H3,(H,26,29)/b13-10+