N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide

Systemtic Name: N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: 2-hydroxy-N-[(1S)-1-(hydroxymethyl)-2-(1H-indazol-6-ylamino)-2-oxo-ethyl]-5-pyrrol-1-yl-benzamide CAS Name: 2-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(1-pyrrolyl)benzamide IUPAC Name: 2-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide Traditional Name: 2-hydroxy-N-[(1S)-2-(1H-indazol-6-ylamino)-2-keto-1-methylol-ethyl]-5-pyrrol-1-yl-benzamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=C(C=C2)O)C(=O)NC(CO)C(=O)NC3=CC4=C(C=C3)C=NN4

Isomeric SMILES

C1=CN(C=C1)C2=CC(=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)NC3=CC4=C(C=C3)C=NN4

InChI

InChI=1S/C21H19N5O4/c27-12-18(21(30)23-14-4-3-13-11-22-25-17(13)9-14)24-20(29)16-10-15(5-6-19(16)28)26-7-1-2-8-26/h1-11,18,27-28H,12H2,(H,22,25)(H,23,30)(H,24,29)/t18-/m0/s1