N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]adamantane-1-carboxamide Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C22H28N2O4/c25-20(24-17-2-3-18-19(9-17)28-5-1-4-27-18)13-23-21(26)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,1,4-8,10-13H2,(H,23,26)(H,24,25)