2-(3-methylphenoxy)-N-[1-methyl-2-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]ethanamide

Systemtic Name: 2-(3-methylphenoxy)-N-[1-methyl-2-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]ethanamide Openeye Name: N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[2-[(4-benzoyl-1-piperazinyl)methyl]-1-methyl-5-benzimidazolyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[2-[(4-benzoylpiperazino)methyl]-1-methyl-benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CN4CCN(CC4)C(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CN4CCN(CC4)C(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C29H31N5O3/c1-21-7-6-10-24(17-21)37-20-28(35)30-23-11-12-26-25(18-23)31-27(32(26)2)19-33-13-15-34(16-14-33)29(36)22-8-4-3-5-9-22/h3-12,17-18H,13-16,19-20H2,1-2H3,(H,30,35)