2-(phenylmethyl)-4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-(4-isonicotinoylpiperazine-1-carbonyl)phthalazin-1-one Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N5O3/c32-24(20-10-12-27-13-11-20)29-14-16-30(17-15-29)26(34)23-21-8-4-5-9-22(21)25(33)31(28-23)18-19-6-2-1-3-7-19/h1-13H,14-18H2