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

Systemtic Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C25H25N5O3 MolecularWeight: 443.4977

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c1-17-22(18(2)33-27-17)16-28-12-14-29(15-13-28)25(32)23-20-10-6-7-11-21(20)24(31)30(26-23)19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3