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

Systemtic Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-12-16(13(2)27-22-12)11-23-7-9-24(10-8-23)19(26)17-14-5-3-4-6-15(14)18(25)21-20-17/h3-6H,7-11H2,1-2H3,(H,21,25)