2-[(4-chloranylphenoxy)methyl]-4-methyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-4-methyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole Openeye Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole CAS Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-1-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzimidazole IUPAC Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzimidazole Traditional Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-1-[3-[4-(2-pyrimidyl)piperazino]propyl]benzimidazole Formula: C26H29ClN6O MolecularWeight: 477.00106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H29ClN6O/c1-20-5-2-6-23-25(20)30-24(19-34-22-9-7-21(27)8-10-22)33(23)14-4-13-31-15-17-32(18-16-31)26-28-11-3-12-29-26/h2-3,5-12H,4,13-19H2,1H3