N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-2-(3-ethyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)propan-2-yl]-2-(3-ethyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-2-(3-ethyl-4-keto-phthalazin-1-yl)acetamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC(C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N[C@@H](C)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N6O2/c1-3-26-21(29)16-9-5-4-8-15(16)18(24-26)12-20(28)22-14(2)13-27-19-11-7-6-10-17(19)23-25-27/h4-11,14H,3,12-13H2,1-2H3,(H,22,28)/t14-/m0/s1