6-[3-(2-methylbut-3-yn-2-ylamino)-2-oxidanyl-propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one hydrochloride

Systemtic Name: 6-[3-(2-methylbut-3-yn-2-ylamino)-2-oxidanyl-propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one hydrochloride Openeye Name: 6-[3-(1,1-dimethylprop-2-ynylamino)-2-hydroxy-propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one hydrochloride CAS Name: 6-[2-hydroxy-3-(2-methylbut-3-yn-2-ylamino)propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one hydrochloride IUPAC Name: 6-[2-hydroxy-3-(2-methylbut-3-yn-2-ylamino)propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one hydrochloride Traditional Name: 6-[3-(1,1-dimethylprop-2-ynylamino)-2-hydroxy-propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one hydrochloride Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NCC(COC1=CC=CC2=C1CCCC(=O)N2)O.Cl

Isomeric SMILES

CC(C)(C#C)NCC(COC1=CC=CC2=C1CCCC(=O)N2)O.Cl

InChI

InChI=1S/C18H24N2O3.ClH/c1-4-18(2,3)19-11-13(21)12-23-16-9-6-8-15-14(16)7-5-10-17(22)20-15;/h1,6,8-9,13,19,21H,5,7,10-12H2,2-3H3,(H,20,22);1H