N-[4-(1-adamantyl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-piperonylamide Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H25NO3/c26-23(18-1-6-21-22(10-18)28-14-27-21)25-20-4-2-19(3-5-20)24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17H,7-9,11-14H2,(H,25,26)