(2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[methyl(piperonyl)amino]propionamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N(C)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N(C)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H31N3O4/c1-14(26(2)12-15-3-4-19-20(8-15)30-13-29-19)21(27)24-22(28)25-23-9-16-5-17(10-23)7-18(6-16)11-23/h3-4,8,14,16-18H,5-7,9-13H2,1-2H3,(H2,24,25,27,28)/t14-,16?,17?,18?,23?/m1/s1