N-(1H-benzimidazol-2-ylmethyl)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-pyrrolidine-2-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-pyrrolidine-2-carboxamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1O)C(=O)NCC2=NC3=CC=CC=C3N2)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CN(C(C1O)C(=O)NCC2=NC3=CC=CC=C3N2)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C21H21ClN4O4/c22-13-8-18-17(29-11-30-18)7-12(13)10-26-6-5-16(27)20(26)21(28)23-9-19-24-14-3-1-2-4-15(14)25-19/h1-4,7-8,16,20,27H,5-6,9-11H2,(H,23,28)(H,24,25)