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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

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