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

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-keto-butyl]adamantane-1-carboxamide Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c27-22(26-19-4-5-20-21(12-19)30-8-2-7-29-20)3-1-6-25-23(28)24-13-16-9-17(14-24)11-18(10-16)15-24/h4-5,12,16-18H,1-3,6-11,13-15H2,(H,25,28)(H,26,27)