4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2,3,4-trimethoxybenzyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C23H26N4O5 MolecularWeight: 438.47634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43)OC)OC

InChI

InChI=1S/C23H26N4O5/c1-30-18-9-8-15(20(31-2)21(18)32-3)14-26-10-12-27(13-11-26)23(29)19-16-6-4-5-7-17(16)22(28)25-24-19/h4-9H,10-14H2,1-3H3,(H,25,28)