4-[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[3-(hydroxymethyl)-3-(o-tolylmethyl)piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]-1-piperidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(2-methylbenzyl)-3-methylol-piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)CO

Isomeric SMILES

CC1=CC=CC=C1CC2(CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)CO

InChI

InChI=1S/C23H25N3O3/c1-16-7-2-3-8-17(16)13-23(15-27)11-6-12-26(14-23)22(29)20-18-9-4-5-10-19(18)21(28)25-24-20/h2-5,7-10,27H,6,11-15H2,1H3,(H,25,28)