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

Systemtic Name: 2-hydroxyethyl 1-[3-(4-prop-2-ynylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate Openeye Name: 2-hydroxyethyl 1-[3-(4-prop-2-ynylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate CAS Name: 1-[3-(4-prop-2-ynyl-1-piperazinyl)phenyl]-5-benzimidazolecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 1-[3-(4-prop-2-ynylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[3-(4-propargylpiperazino)phenyl]benzimidazole-5-carboxylic acid 2-hydroxyethyl ester Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)OCCO

Isomeric SMILES

C#CCN1CCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)OCCO

InChI

InChI=1S/C23H24N4O3/c1-2-8-25-9-11-26(12-10-25)19-4-3-5-20(16-19)27-17-24-21-15-18(6-7-22(21)27)23(29)30-14-13-28/h1,3-7,15-17,28H,8-14H2