1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-3-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-3-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-3-hydroxy-pyrrolidine-2-carboxamide CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-3-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-3-hydroxypyrrolidine-2-carboxamide Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-3-hydroxy-pyrrolidine-2-carboxamide Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=N2)CNC(=O)C3C(CCN3CC4=CC5=C(C=C4Cl)OCO5)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=N2)CNC(=O)C3C(CCN3CC4=CC5=C(C=C4Cl)OCO5)O)C

InChI

InChI=1S/C23H25ClN4O4/c1-12-3-4-16-21(13(12)2)27-20(26-16)9-25-23(30)22-17(29)5-6-28(22)10-14-7-18-19(8-15(14)24)32-11-31-18/h3-4,7-8,17,22,29H,5-6,9-11H2,1-2H3,(H,25,30)(H,26,27)