N-[7-(4-chlorophenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]adamantane-1-carboxamide

Systemtic Name: N-[7-(4-chlorophenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]adamantane-1-carboxamide Openeye Name: N-[7-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]adamantane-1-carboxamide CAS Name: N-[7-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-1-adamantanecarboxamide IUPAC Name: N-[7-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]adamantane-1-carboxamide Traditional Name: N-[7-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]adamantane-1-carboxamide Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C26H26ClNO4/c27-19-3-1-18(2-4-19)24(29)20-10-22-23(32-6-5-31-22)11-21(20)28-25(30)26-12-15-7-16(13-26)9-17(8-15)14-26/h1-4,10-11,15-17H,5-9,12-14H2,(H,28,30)