2-methyl-4-[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C4=C(C=NN4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C4=C(C=NN4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c1-29-24(31)21-10-6-5-9-20(21)23(28-29)25(32)30-13-11-18(12-14-30)22-19(16-26-27-22)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,26,27)