2-methyl-4-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]phthalazin-1-one Traditional Name: 4-[4-[2-keto-2-(4-phenylpiperazino)ethoxy]phenyl]-2-methyl-phthalazin-1-one Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-29-27(33)24-10-6-5-9-23(24)26(28-29)20-11-13-22(14-12-20)34-19-25(32)31-17-15-30(16-18-31)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3