N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[(1S)-1-(hydroxymethyl)-2-(1H-indazol-6-ylamino)-2-oxo-ethyl]-5-(morpholinomethyl)benzamide CAS Name: 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(4-morpholinylmethyl)benzamide IUPAC Name: 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide Traditional Name: 3-hydroxy-N-[(1S)-2-(1H-indazol-6-ylamino)-2-keto-1-methylol-ethyl]-5-(morpholinomethyl)benzamide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC(=C2)C(=O)NC(CO)C(=O)NC3=CC4=C(C=C3)C=NN4)O

Isomeric SMILES

C1COCCN1CC2=CC(=CC(=C2)C(=O)N[C@@H](CO)C(=O)NC3=CC4=C(C=C3)C=NN4)O

InChI

InChI=1S/C22H25N5O5/c28-13-20(22(31)24-17-2-1-15-11-23-26-19(15)10-17)25-21(30)16-7-14(8-18(29)9-16)12-27-3-5-32-6-4-27/h1-2,7-11,20,28-29H,3-6,12-13H2,(H,23,26)(H,24,31)(H,25,30)/t20-/m0/s1