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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c32-26-24-14-8-7-13-23(24)25(28-31(26)20-22-11-5-2-6-12-22)27(33)30-17-15-29(16-18-30)19-21-9-3-1-4-10-21/h1-14H,15-20H2