2-(1-hydroxyethyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate

Systemtic Name: 2-(1-hydroxyethyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate Openeye Name: 2-(1-hydroxyethyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate CAS Name: 2-(1-hydroxyethyl)-1-[3-(4-methyl-1-piperazinyl)phenyl]-5-benzimidazolecarboxylate IUPAC Name: 2-(1-hydroxyethyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate Traditional Name: 2-(1-hydroxyethyl)-1-[3-(4-methylpiperazino)phenyl]benzimidazole-5-carboxylate Formula: C21H23N4O3- MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)C)C=CC(=C2)C(=O)[O-])O

Isomeric SMILES

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)C)C=CC(=C2)C(=O)[O-])O

InChI

InChI=1S/C21H24N4O3/c1-14(26)20-22-18-12-15(21(27)28)6-7-19(18)25(20)17-5-3-4-16(13-17)24-10-8-23(2)9-11-24/h3-7,12-14,26H,8-11H2,1-2H3,(H,27,28)/p-1