2-methyl-4-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]phthalazin-1-one Openeye Name: 4-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-1-phthalazinone IUPAC Name: 4-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-methyl-phthalazin-1-one Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c1-30-28(33)25-10-6-5-9-24(25)26(29-30)22-11-13-23(14-12-22)27(32)31-17-15-21(16-18-31)19-20-7-3-2-4-8-20/h2-14,21H,15-19H2,1H3