N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(1H-indazol-6-ylamino)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-(1H-indazol-6-ylamino)-2-keto-1-methylol-ethyl]cinchoninamide Formula: C20H17N5O3 MolecularWeight: 375.38068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CO)C(=O)NC3=CC4=C(C=C3)C=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)N[C@@H](CO)C(=O)NC3=CC4=C(C=C3)C=NN4

InChI

InChI=1S/C20H17N5O3/c26-11-18(20(28)23-13-6-5-12-10-22-25-17(12)9-13)24-19(27)15-7-8-21-16-4-2-1-3-14(15)16/h1-10,18,26H,11H2,(H,22,25)(H,23,28)(H,24,27)/t18-/m0/s1