N'-(1-adamantyl)-N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]butanediamide

Systemtic Name: N'-(1-adamantyl)-N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]butanediamide Openeye Name: N'-(1-adamantyl)-N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]butanediamide CAS Name: N'-(1-adamantyl)-N-[5-(1,3-benzodioxol-5-yl)-1-methyl-2-imidazolyl]butanediamide IUPAC Name: N'-(1-adamantyl)-N-[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]butanediamide Traditional Name: N'-(1-adamantyl)-N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]succinamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NC(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CN1C(=CN=C1NC(=O)CCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H30N4O4/c1-29-19(18-2-3-20-21(9-18)33-14-32-20)13-26-24(29)27-22(30)4-5-23(31)28-25-10-15-6-16(11-25)8-17(7-15)12-25/h2-3,9,13,15-17H,4-8,10-12,14H2,1H3,(H,28,31)(H,26,27,30)