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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(piperidin-1-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(1-piperidylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(1-piperidinylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(piperidin-1-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(piperidinocarbamoyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NN3CCCCC3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NN3CCCCC3)C)CCC(=O)OC

InChI

InChI=1S/C21H28N4O3/c1-15-19(11-12-20(26)28-3)16(2)25(22-15)18-9-7-17(8-10-18)21(27)23-24-13-5-4-6-14-24/h7-10H,4-6,11-14H2,1-3H3,(H,23,27)