5-[[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[1-(3,4-diethoxybenzyl)pyrazol-4-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=C(C=NN3C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=C(C=NN3C)C(=O)O)OCC

InChI

InChI=1S/C20H23N5O5/c1-4-29-16-7-6-13(8-17(16)30-5-2)11-25-12-14(9-22-25)23-19(26)18-15(20(27)28)10-21-24(18)3/h6-10,12H,4-5,11H2,1-3H3,(H,23,26)(H,27,28)