4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O3/c1-18-23(19(2)34-28-18)17-29-12-14-30(15-13-29)26(33)24-21-10-6-7-11-22(21)25(32)31(27-24)16-20-8-4-3-5-9-20/h3-11H,12-17H2,1-2H3