4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(m-tolylmethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(3-methylbenzyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-21-8-7-11-23(18-21)19-30-14-16-31(17-15-30)28(34)26-24-12-5-6-13-25(24)27(33)32(29-26)20-22-9-3-2-4-10-22/h2-13,18H,14-17,19-20H2,1H3