N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-methyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-methyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-methyl-3H-phthalazine-1-carboxamide Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H15N5O4/c1-9-7-12(20-25-9)17-13(22)8-21(2)16(24)14-10-5-3-4-6-11(10)15(23)19-18-14/h3-7H,8H2,1-2H3,(H,19,23)(H,17,20,22)