4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]phthalazin-1-one Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O2/c1-19(2)26-29-20(3)17-24(30-26)32-13-15-33(16-14-32)28(36)25-22-11-7-8-12-23(22)27(35)34(31-25)18-21-9-5-4-6-10-21/h4-12,17,19H,13-16,18H2,1-3H3