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

Systemtic Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxidanylidene-azetidin-1-yl]-N-propyl-adamantane-1-carboxamide Openeye Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxo-azetidin-1-yl]-N-propyl-adamantane-1-carboxamide CAS Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxo-1-azetidinyl]-N-propyl-1-adamantanecarboxamide IUPAC Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxoazetidin-1-yl]-N-propyladamantane-1-carboxamide Traditional Name: (3S)-4-[2-(1,3-benzodioxol-4-yl)-4-keto-3,3-dimethyl-azetidin-1-yl]-N-propyl-adamantane-1-carboxamide Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-4-8-27-23(29)26-11-15-9-16(12-26)20(17(10-15)13-26)28-22(25(2,3)24(28)30)18-6-5-7-19-21(18)32-14-31-19/h5-7,15-17,20,22H,4,8-14H2,1-3H3,(H,27,29)/t15?,16-,17?,20?,22?,26?/m0/s1