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

Systemtic Name: 2-methoxyethyl 1-[3-(4-prop-2-ynylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 1-[3-(4-prop-2-ynylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[3-(4-propargylpiperazino)phenyl]benzimidazole-5-carboxylic acid 2-methoxyethyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=CC=C3)N4CCN(CC4)CC#C

Isomeric SMILES

COCCOC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=CC=C3)N4CCN(CC4)CC#C

InChI

InChI=1S/C24H26N4O3/c1-3-9-26-10-12-27(13-11-26)20-5-4-6-21(17-20)28-18-25-22-16-19(7-8-23(22)28)24(29)31-15-14-30-2/h1,4-8,16-18H,9-15H2,2H3