methyl 1-[3-(4-ethanoylpiperazin-2-yl)phenyl]benzimidazole-5-carboxylate

Systemtic Name: methyl 1-[3-(4-ethanoylpiperazin-2-yl)phenyl]benzimidazole-5-carboxylate Openeye Name: methyl 1-[3-(4-acetylpiperazin-2-yl)phenyl]benzimidazole-5-carboxylate CAS Name: 1-[3-(4-acetyl-2-piperazinyl)phenyl]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-acetylpiperazin-2-yl)phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[3-(4-acetylpiperazin-2-yl)phenyl]benzimidazole-5-carboxylic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCNC(C1)C2=CC(=CC=C2)N3C=NC4=C3C=CC(=C4)C(=O)OC

Isomeric SMILES

CC(=O)N1CCNC(C1)C2=CC(=CC=C2)N3C=NC4=C3C=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H22N4O3/c1-14(26)24-9-8-22-19(12-24)15-4-3-5-17(10-15)25-13-23-18-11-16(21(27)28-2)6-7-20(18)25/h3-7,10-11,13,19,22H,8-9,12H2,1-2H3