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

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-keto-butyl]adamantane-1-carboxamide Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c26-21(25-18-3-4-19-20(11-18)29-7-6-28-19)2-1-5-24-22(27)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-4,11,15-17H,1-2,5-10,12-14H2,(H,24,27)(H,25,26)