3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-2-benzofuran-1-one

Systemtic Name: 3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-2-benzofuran-1-one Openeye Name: 3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-isobenzofuran-1-one CAS Name: 3-[2-[(4-methyl-1-piperazinyl)methyl]phenyl]-3-phenyl-1-isobenzofuranone IUPAC Name: 3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-2-benzofuran-1-one Traditional Name: 3-[2-[(4-methylpiperazino)methyl]phenyl]-3-phenyl-phthalide Formula: C26H26N2O2 MolecularWeight: 398.49684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC=C2C3(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC=C2C3(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O2/c1-27-15-17-28(18-16-27)19-20-9-5-7-13-23(20)26(21-10-3-2-4-11-21)24-14-8-6-12-22(24)25(29)30-26/h2-14H,15-19H2,1H3