2-[4-bromanyl-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]-N-tert-butyl-ethanamide dihydrochloride

Systemtic Name: 2-[4-bromanyl-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]-N-tert-butyl-ethanamide dihydrochloride Openeye Name: 2-[4-bromo-2-[(3-pyridylmethylamino)methyl]phenoxy]-N-tert-butyl-acetamide dihydrochloride CAS Name: 2-[4-bromo-2-[(3-pyridinylmethylamino)methyl]phenoxy]-N-tert-butylacetamide dihydrochloride IUPAC Name: 2-[4-bromo-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]-N-tert-butylacetamide dihydrochloride Traditional Name: 2-[4-bromo-2-[(3-pyridylmethylamino)methyl]phenoxy]-N-tert-butyl-acetamide dihydrochloride Formula: C19H26BrCl2N3O2 MolecularWeight: 479.23864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)CNCC2=CN=CC=C2.Cl.Cl

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)CNCC2=CN=CC=C2.Cl.Cl

InChI

InChI=1S/C19H24BrN3O2.2ClH/c1-19(2,3)23-18(24)13-25-17-7-6-16(20)9-15(17)12-22-11-14-5-4-8-21-10-14;;/h4-10,22H,11-13H2,1-3H3,(H,23,24);2*1H