N-[(2S)-1-(benzotriazol-1-yl)-3-methyl-butan-2-yl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)-3-methyl-butan-2-yl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)-3-methylbutan-2-yl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)-3-methylbutan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1C2=CC=CC=C2N=N1)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)[C@@H](CN1C2=CC=CC=C2N=N1)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H22N6O2/c1-14(2)18(12-26-19-10-6-5-9-17(19)24-25-26)23-20(28)13-27-21(29)16-8-4-3-7-15(16)11-22-27/h3-11,14,18H,12-13H2,1-2H3,(H,23,28)/t18-/m1/s1