3-(1-adamantylcarbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C23H31N3O4/c27-21(25-18-2-3-19-20(11-18)30-7-1-6-29-19)4-5-24-22(28)26-23-12-15-8-16(13-23)10-17(9-15)14-23/h2-3,11,15-17H,1,4-10,12-14H2,(H,25,27)(H2,24,26,28)