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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(3-pyridylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(3-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=CN=CC=C3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C)CCC(=O)OC

InChI

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