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

Systemtic Name: 6-[3-(but-3-yn-2-ylamino)-2-oxidanyl-propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 6-[2-hydroxy-3-(1-methylprop-2-ynylamino)propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 6-[3-(but-3-yn-2-ylamino)-2-hydroxypropoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 6-[3-(but-3-yn-2-ylamino)-2-hydroxypropoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 6-[2-hydroxy-3-(1-methylprop-2-ynylamino)propoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C17H22N2O3 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-3-12(2)18-10-13(20)11-22-16-8-5-7-15-14(16)6-4-9-17(21)19-15/h1,5,7-8,12-13,18,20H,4,6,9-11H2,2H3,(H,19,21)