ethyl 1-[[(3-ethoxycarbonyl-5-methyl-pyrazol-1-yl)methyl-hexyl-amino]methyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[[(3-ethoxycarbonyl-5-methyl-pyrazol-1-yl)methyl-hexyl-amino]methyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[[(3-ethoxycarbonyl-5-methyl-pyrazol-1-yl)methyl-hexyl-amino]methyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 1-[[(3-ethoxycarbonyl-5-methyl-1-pyrazolyl)methyl-hexylamino]methyl]-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(3-ethoxycarbonyl-5-methylpyrazol-1-yl)methyl-hexylamino]methyl]-5-methylpyrazole-3-carboxylate Traditional Name: 1-[[(3-carbethoxy-5-methyl-pyrazol-1-yl)methyl-hexyl-amino]methyl]-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H35N5O4 MolecularWeight: 433.5444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CN1C(=CC(=N1)C(=O)OCC)C)CN2C(=CC(=N2)C(=O)OCC)C

Isomeric SMILES

CCCCCCN(CN1C(=CC(=N1)C(=O)OCC)C)CN2C(=CC(=N2)C(=O)OCC)C

InChI

InChI=1S/C22H35N5O4/c1-6-9-10-11-12-25(15-26-17(4)13-19(23-26)21(28)30-7-2)16-27-18(5)14-20(24-27)22(29)31-8-3/h13-14H,6-12,15-16H2,1-5H3