(3E)-3-[1-[6-(dimethylamino)pyridin-3-yl]butylidene]-2-phenyl-isoindol-1-one

Systemtic Name: (3E)-3-[1-[6-(dimethylamino)pyridin-3-yl]butylidene]-2-phenyl-isoindol-1-one Openeye Name: (3E)-3-[1-[6-(dimethylamino)-3-pyridyl]butylidene]-2-phenyl-isoindolin-1-one CAS Name: (3E)-3-[1-[6-(dimethylamino)-3-pyridinyl]butylidene]-2-phenyl-1-isoindolone IUPAC Name: (3E)-3-[1-[6-(dimethylamino)pyridin-3-yl]butylidene]-2-phenylisoindol-1-one Traditional Name: (3E)-3-[1-[6-(dimethylamino)-3-pyridyl]butylidene]-2-phenyl-isoindolin-1-one Formula: C25H25N3O MolecularWeight: 383.4855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O/c1-4-10-20(18-15-16-23(26-17-18)27(2)3)24-21-13-8-9-14-22(21)25(29)28(24)19-11-6-5-7-12-19/h5-9,11-17H,4,10H2,1-3H3/b24-20+