5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole

Systemtic Name: 5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole Openeye Name: 5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole CAS Name: 5-[(4-cycloheptyl-1-piperazinyl)methyl]-1-ethyl-2-[[2-(3-fluorophenyl)-3-pyrazolyl]methyl]benzimidazole IUPAC Name: 5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole Traditional Name: 5-[(4-cycloheptylpiperazino)methyl]-1-ethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole Formula: C31H39FN6 MolecularWeight: 514.679963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C4CCCCCC4)N=C1CC5=CC=NN5C6=CC(=CC=C6)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C4CCCCCC4)N=C1CC5=CC=NN5C6=CC(=CC=C6)F

InChI

InChI=1S/C31H39FN6/c1-2-37-30-13-12-24(23-35-16-18-36(19-17-35)26-9-5-3-4-6-10-26)20-29(30)34-31(37)22-28-14-15-33-38(28)27-11-7-8-25(32)21-27/h7-8,11-15,20-21,26H,2-6,9-10,16-19,22-23H2,1H3