(3E)-3-[1-(2-methoxypyrimidin-5-yl)butylidene]-2-phenyl-isoindol-1-one

Systemtic Name: (3E)-3-[1-(2-methoxypyrimidin-5-yl)butylidene]-2-phenyl-isoindol-1-one Openeye Name: (3E)-3-[1-(2-methoxypyrimidin-5-yl)butylidene]-2-phenyl-isoindolin-1-one CAS Name: (3E)-3-[1-(2-methoxy-5-pyrimidinyl)butylidene]-2-phenyl-1-isoindolone IUPAC Name: (3E)-3-[1-(2-methoxypyrimidin-5-yl)butylidene]-2-phenylisoindol-1-one Traditional Name: (3E)-3-[1-(2-methoxypyrimidin-5-yl)butylidene]-2-phenyl-isoindolin-1-one Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C4=CN=C(N=C4)OC

Isomeric SMILES

CCC/C(=C\1/C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)/C4=CN=C(N=C4)OC

InChI

InChI=1S/C23H21N3O2/c1-3-9-18(16-14-24-23(28-2)25-15-16)21-19-12-7-8-13-20(19)22(27)26(21)17-10-5-4-6-11-17/h4-8,10-15H,3,9H2,1-2H3/b21-18+