(3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxidanylidene-azetidin-1-yl]-N-ethyl-adamantane-1-carboxamide

Systemtic Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxidanylidene-azetidin-1-yl]-N-ethyl-adamantane-1-carboxamide Openeye Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxo-azetidin-1-yl]-N-ethyl-adamantane-1-carboxamide CAS Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxo-1-azetidinyl]-N-ethyl-1-adamantanecarboxamide IUPAC Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxoazetidin-1-yl]-N-ethyladamantane-1-carboxamide Traditional Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-4-keto-3,3-dimethyl-azetidin-1-yl]-N-ethyl-adamantane-1-carboxamide Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C12CC3CC(C1)C(C(C3)C2)N4C(C(C4=O)(C)C)C5=C6C(=CC=C5)OCO6

Isomeric SMILES

CCNC(=O)C12C[C@@H]3CC(C1)CC(C2)C3N4C(C(C4=O)(C)C)C5=C6C(=CC=C5)OCO6

InChI

InChI=1S/C25H32N2O4/c1-4-26-22(28)25-10-14-8-15(11-25)19(16(9-14)12-25)27-21(24(2,3)23(27)29)17-6-5-7-18-20(17)31-13-30-18/h5-7,14-16,19,21H,4,8-13H2,1-3H3,(H,26,28)/t14?,15-,16?,19?,21?,25?/m0/s1