6-(dimethylamino)-3-(4-dimethylaminophenyl)-3-[2-methyl-4-(prop-2-ynylamino)phenyl]-2-benzofuran-1-one

Systemtic Name: 6-(dimethylamino)-3-(4-dimethylaminophenyl)-3-[2-methyl-4-(prop-2-ynylamino)phenyl]-2-benzofuran-1-one Openeye Name: 6-(dimethylamino)-3-(4-dimethylaminophenyl)-3-[2-methyl-4-(prop-2-ynylamino)phenyl]isobenzofuran-1-one CAS Name: 6-(dimethylamino)-3-(4-dimethylaminophenyl)-3-[2-methyl-4-(prop-2-ynylamino)phenyl]-1-isobenzofuranone IUPAC Name: 6-(dimethylamino)-3-(4-dimethylaminophenyl)-3-[2-methyl-4-(prop-2-ynylamino)phenyl]-2-benzofuran-1-one Traditional Name: 6-(dimethylamino)-3-(4-dimethylaminophenyl)-3-[2-methyl-4-(propargylamino)phenyl]phthalide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC#C)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NCC#C)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C28H29N3O2/c1-7-16-29-21-10-14-25(19(2)17-21)28(20-8-11-22(12-9-20)30(3)4)26-15-13-23(31(5)6)18-24(26)27(32)33-28/h1,8-15,17-18,29H,16H2,2-6H3