2-[2-bromanyl-6-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]ethanenitrile dihydrochloride

Systemtic Name: 2-[2-bromanyl-6-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]ethanenitrile dihydrochloride Openeye Name: 2-[2-bromo-6-methoxy-4-[(3-morpholinopropylamino)methyl]phenoxy]acetonitrile dihydrochloride CAS Name: 2-[2-bromo-6-methoxy-4-[[3-(4-morpholinyl)propylamino]methyl]phenoxy]acetonitrile dihydrochloride IUPAC Name: 2-[2-bromo-6-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetonitrile dihydrochloride Traditional Name: 2-[2-bromo-6-methoxy-4-[(3-morpholinopropylamino)methyl]phenoxy]acetonitrile dihydrochloride Formula: C17H26BrCl2N3O3 MolecularWeight: 471.21664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC#N.Cl.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC#N.Cl.Cl

InChI

InChI=1S/C17H24BrN3O3.2ClH/c1-22-16-12-14(11-15(18)17(16)24-8-3-19)13-20-4-2-5-21-6-9-23-10-7-21;;/h11-12,20H,2,4-10,13H2,1H3;2*1H