ethyl 3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate CAS Name: 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methyl-1-piperazinyl)propylamino]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate Traditional Name: 3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-[3-(4-methylpiperazino)propylamino]benzimidazole-5-carboxylic acid ethyl ester Formula: C25H34N6O3 MolecularWeight: 466.57586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=CC(=N3)C)O)NCCCN4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=CC(=N3)C)O)NCCCN4CCN(CC4)C

InChI

InChI=1S/C25H34N6O3/c1-4-34-24(33)19-7-8-20-22(16-19)31(17-21-23(32)9-6-18(2)27-21)25(28-20)26-10-5-11-30-14-12-29(3)13-15-30/h6-9,16,32H,4-5,10-15,17H2,1-3H3,(H,26,28)