2-(3-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(3-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one CAS Name: 2-(3-methoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one Formula: C27H27N4O3+ MolecularWeight: 455.52828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

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