methyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-(pyridin-2-ylmethyl)carbamoyl]pyridine-4-carboxylate

Systemtic Name: methyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-(pyridin-2-ylmethyl)carbamoyl]pyridine-4-carboxylate Openeye Name: methyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-(2-pyridylmethyl)carbamoyl]pyridine-4-carboxylate CAS Name: 3-[[(2,5-dimethyl-3-pyrazolyl)methyl-(2-pyridinylmethyl)amino]-oxomethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-(pyridin-2-ylmethyl)carbamoyl]pyridine-4-carboxylate Traditional Name: 3-[(2,5-dimethylpyrazol-3-yl)methyl-(2-pyridylmethyl)carbamoyl]isonicotinic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(CC2=CC=CC=N2)C(=O)C3=C(C=CN=C3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1)CN(CC2=CC=CC=N2)C(=O)C3=C(C=CN=C3)C(=O)OC)C

InChI

InChI=1S/C20H21N5O3/c1-14-10-16(24(2)23-14)13-25(12-15-6-4-5-8-22-15)19(26)18-11-21-9-7-17(18)20(27)28-3/h4-11H,12-13H2,1-3H3