(3S)-1-(2-benzamidoethanoyl)-N-(1H-benzimidazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-benzamidoethanoyl)-N-(1H-benzimidazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-benzamidoacetyl)-N-(1H-benzimidazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-benzamido-1-oxoethyl)-N-(1H-benzimidazol-2-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-benzamidoacetyl)-N-(1H-benzimidazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(1H-benzimidazol-2-yl)-1-hippuroyl-nipecotamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CNC(=O)C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CNC(=O)C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N5O3/c28-19(13-23-20(29)15-7-2-1-3-8-15)27-12-6-9-16(14-27)21(30)26-22-24-17-10-4-5-11-18(17)25-22/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,23,29)(H2,24,25,26,30)/t16-/m0/s1