N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(6-quinolylamino)ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(6-quinolinylamino)propan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(6-quinolylamino)ethyl]-3H-benzimidazole-5-carboxamide Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC(=O)C(CO)NC(=O)C3=CC4=C(C=C3)N=CN4)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4)N=C1

InChI

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