N-[2-[3-(4-aminophenyl)propyl]-1-methyl-benzimidazol-5-yl]-2-[4-[(2-chloranyl-4-fluoranyl-phenyl)amino]piperidin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[2-[3-(4-aminophenyl)propyl]-1-methyl-benzimidazol-5-yl]-2-[4-[(2-chloranyl-4-fluoranyl-phenyl)amino]piperidin-1-yl]-N-methyl-ethanamide Openeye Name: N-[2-[3-(4-aminophenyl)propyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-chloro-4-fluoro-anilino)-1-piperidyl]-N-methyl-acetamide CAS Name: N-[2-[3-(4-aminophenyl)propyl]-1-methyl-5-benzimidazolyl]-2-[4-(2-chloro-4-fluoroanilino)-1-piperidinyl]-N-methylacetamide IUPAC Name: N-[2-[3-(4-aminophenyl)propyl]-1-methylbenzimidazol-5-yl]-2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N-methylacetamide Traditional Name: N-[2-[3-(4-aminophenyl)propyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-chloro-4-fluoro-anilino)piperidino]-N-methyl-acetamide Formula: C31H36ClFN6O MolecularWeight: 563.108543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)NC4=C(C=C(C=C4)F)Cl)N=C1CCCC5=CC=C(C=C5)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)NC4=C(C=C(C=C4)F)Cl)N=C1CCCC5=CC=C(C=C5)N

InChI

InChI=1S/C31H36ClFN6O/c1-37(31(40)20-39-16-14-24(15-17-39)35-27-12-8-22(33)18-26(27)32)25-11-13-29-28(19-25)36-30(38(29)2)5-3-4-21-6-9-23(34)10-7-21/h6-13,18-19,24,35H,3-5,14-17,20,34H2,1-2H3