3-[4-[bis(prop-2-ynyl)amino]phenyl]-6-(dimethylamino)-3H-2-benzofuran-1-one

Systemtic Name: 3-[4-[bis(prop-2-ynyl)amino]phenyl]-6-(dimethylamino)-3H-2-benzofuran-1-one Openeye Name: 3-[4-[bis(prop-2-ynyl)amino]phenyl]-6-(dimethylamino)-3H-isobenzofuran-1-one CAS Name: 3-[4-[bis(prop-2-ynyl)amino]phenyl]-6-(dimethylamino)-3H-isobenzofuran-1-one IUPAC Name: 3-[4-[bis(prop-2-ynyl)amino]phenyl]-6-(dimethylamino)-3H-2-benzofuran-1-one Traditional Name: 6-(dimethylamino)-3-[4-(dipropargylamino)phenyl]phthalide Formula: C22H20N2O2 MolecularWeight: 344.4064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(OC2=O)C3=CC=C(C=C3)N(CC#C)CC#C

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(OC2=O)C3=CC=C(C=C3)N(CC#C)CC#C

InChI

InChI=1S/C22H20N2O2/c1-5-13-24(14-6-2)17-9-7-16(8-10-17)21-19-12-11-18(23(3)4)15-20(19)22(25)26-21/h1-2,7-12,15,21H,13-14H2,3-4H3