N-(4-bromophenyl)-1-methyl-5-[2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-yl]oxy-benzimidazol-2-amine

Systemtic Name: N-(4-bromophenyl)-1-methyl-5-[2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-yl]oxy-benzimidazol-2-amine Openeye Name: N-(4-bromophenyl)-1-methyl-5-[[2-[(3-morpholinopropylamino)methyl]-4-pyridyl]oxy]benzimidazol-2-amine CAS Name: N-(4-bromophenyl)-1-methyl-5-[[2-[[3-(4-morpholinyl)propylamino]methyl]-4-pyridinyl]oxy]-2-benzimidazolamine IUPAC Name: N-(4-bromophenyl)-1-methyl-5-[2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-yl]oxybenzimidazol-2-amine Traditional Name: [4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxy-2-pyridyl]methyl-(3-morpholinopropyl)amine Formula: C27H31BrN6O2 MolecularWeight: 551.47804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)CNCCCN4CCOCC4)N=C1NC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)CNCCCN4CCOCC4)N=C1NC5=CC=C(C=C5)Br

InChI

InChI=1S/C27H31BrN6O2/c1-33-26-8-7-23(18-25(26)32-27(33)31-21-5-3-20(28)4-6-21)36-24-9-11-30-22(17-24)19-29-10-2-12-34-13-15-35-16-14-34/h3-9,11,17-18,29H,2,10,12-16,19H2,1H3,(H,31,32)