ethyl 5-methyl-1-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[3-(1-piperidyl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[3-(1-piperidinyl)propylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(3-piperidinopropylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCCCC3)C

InChI

InChI=1S/C22H30N4O3/c1-3-29-22(28)20-16-24-26(17(20)2)19-10-8-18(9-11-19)21(27)23-12-7-15-25-13-5-4-6-14-25/h8-11,16H,3-7,12-15H2,1-2H3,(H,23,27)