N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxidanylidene-1H-isoindole-4-carboxamide

Systemtic Name: N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxidanylidene-1H-isoindole-4-carboxamide Openeye Name: N-[(1R)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-2-isobutyl-3-oxo-isoindoline-4-carboxamide CAS Name: N-[(2R)-1-(1-benzotriazolyl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide IUPAC Name: N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide Traditional Name: N-[(1R)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-2-isobutyl-3-keto-isoindoline-4-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC2=CC=CC(=C2C1=O)C(=O)NC(C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@H](CN1C2=CC=CC=C2N=N1)NC(=O)C3=C4C(=CC=C3)CN(C4=O)CC(C)C

InChI

InChI=1S/C22H25N5O2/c1-14(2)11-26-13-16-7-6-8-17(20(16)22(26)29)21(28)23-15(3)12-27-19-10-5-4-9-18(19)24-25-27/h4-10,14-15H,11-13H2,1-3H3,(H,23,28)/t15-/m1/s1