N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[1-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[1-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NC(C)C1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O4/c1-14(2)22(23(28)26-15(3)19-4-5-20-21(9-19)31-13-30-20)27-24(29)25-10-16-6-17(11-25)8-18(7-16)12-25/h4-5,9,14-18,22H,6-8,10-13H2,1-3H3,(H,26,28)(H,27,29)