3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylpropanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylpropanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-propionamide Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O4/c1-2-28(16-17-3-4-21-22(12-17)32-8-7-31-21)23(29)5-6-26-24(30)27-25-13-18-9-19(14-25)11-20(10-18)15-25/h3-4,12,18-20H,2,5-11,13-16H2,1H3,(H2,26,27,30)