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

Systemtic Name: (E)-7-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-1-(2-methylpyrimidin-5-yl)hept-1-en-3-one Openeye Name: (E)-7-[6-[(4-methoxyphenyl)methylamino]-2-pyridyl]-1-(2-methylpyrimidin-5-yl)hept-1-en-3-one CAS Name: (E)-7-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-1-(2-methyl-5-pyrimidinyl)-1-hepten-3-one IUPAC Name: (E)-7-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]-1-(2-methylpyrimidin-5-yl)hept-1-en-3-one Traditional Name: (E)-1-(2-methylpyrimidin-5-yl)-7-[6-(p-anisylamino)-2-pyridyl]hept-1-en-3-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C=CC(=O)CCCCC2=NC(=CC=C2)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NC=C(C=N1)/C=C/C(=O)CCCCC2=NC(=CC=C2)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H28N4O2/c1-19-26-17-21(18-27-19)10-13-23(30)8-4-3-6-22-7-5-9-25(29-22)28-16-20-11-14-24(31-2)15-12-20/h5,7,9-15,17-18H,3-4,6,8,16H2,1-2H3,(H,28,29)/b13-10+