N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-propyl]adamantane-1-carboxamide Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c25-20(24-17-1-2-18-19(10-17)28-6-5-27-18)3-4-23-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-2,10,14-16H,3-9,11-13H2,(H,23,26)(H,24,25)