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

Systemtic Name: 2-methyl-4-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]phthalazin-1-one Openeye Name: 4-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]-1-phthalazinone IUPAC Name: 4-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-2-methyl-phthalazin-1-one Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c1-29-27(33)24-10-6-5-9-23(24)25(28-29)21-11-13-22(14-12-21)26(32)31-17-15-30(16-18-31)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3