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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CO)C(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)N[C@@H](CO)C(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H17N5O3/c26-11-17(19(28)25-20-23-15-7-3-4-8-16(15)24-20)22-18(27)13-9-10-21-14-6-2-1-5-12(13)14/h1-10,17,26H,11H2,(H,22,27)(H2,23,24,25,28)/t17-/m0/s1