N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1-[2-[(3-oxidanylpyrrolidin-1-yl)carbonylamino]ethyl]benzimidazole-5-carboxamide

Systemtic Name: N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1-[2-[(3-oxidanylpyrrolidin-1-yl)carbonylamino]ethyl]benzimidazole-5-carboxamide Openeye Name: N-[(1S,3R)-5-hydroxy-2-adamantyl]-1-[2-[(3-hydroxypyrrolidine-1-carbonyl)amino]ethyl]benzimidazole-5-carboxamide CAS Name: N-[(1S,3R)-5-hydroxy-2-adamantyl]-1-[2-[[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]amino]ethyl]-5-benzimidazolecarboxamide IUPAC Name: N-[(1S,3R)-5-hydroxy-2-adamantyl]-1-[2-[(3-hydroxypyrrolidine-1-carbonyl)amino]ethyl]benzimidazole-5-carboxamide Traditional Name: N-[(1S,3R)-5-hydroxy-2-adamantyl]-1-[2-[(3-hydroxypyrrolidine-1-carbonyl)amino]ethyl]benzimidazole-5-carboxamide Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C(=O)NCCN2C=NC3=C2C=CC(=C3)C(=O)NC4C5CC6CC4CC(C6)(C5)O

Isomeric SMILES

C1CN(CC1O)C(=O)NCCN2C=NC3=C2C=CC(=C3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O

InChI

InChI=1S/C25H33N5O4/c31-19-3-5-29(13-19)24(33)26-4-6-30-14-27-20-9-16(1-2-21(20)30)23(32)28-22-17-7-15-8-18(22)12-25(34,10-15)11-17/h1-2,9,14-15,17-19,22,31,34H,3-8,10-13H2,(H,26,33)(H,28,32)/t15?,17-,18+,19?,22?,25?