N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H31N3O4/c1-14(24-18-3-4-19-20(10-18)30-6-2-5-29-19)21(27)25-22(28)26-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-4,10,14-17,24H,2,5-9,11-13H2,1H3,(H2,25,26,27,28)