N-[(2S)-butan-2-yl]-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC[C@H](C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H25N3O2/c1-5-16(4)23-20(26)13-25-22(27)18-9-7-6-8-17(18)21(24-25)19-12-14(2)10-11-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,23,26)/t16-/m0/s1