methyl 3-[3,5-dimethyl-1-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(2-pyridylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(2-pyridinylmethylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(2-pyridylmethylcarbamoyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)C)CCC(=O)OC

InChI

InChI=1S/C22H24N4O3/c1-15-20(11-12-21(27)29-3)16(2)26(25-15)19-9-7-17(8-10-19)22(28)24-14-18-6-4-5-13-23-18/h4-10,13H,11-12,14H2,1-3H3,(H,24,28)