ethyl 5-(4-ethylphenyl)-1-[4-(2-methylpiperidin-1-yl)carbonylphenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-ethylphenyl)-1-[4-(2-methylpiperidin-1-yl)carbonylphenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-ethylphenyl)-1-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-ethylphenyl)-1-[4-[(2-methyl-1-piperidinyl)-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-ethylphenyl)-1-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-ethylphenyl)-1-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)N4CCCCC4C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)N4CCCCC4C)C(=O)OCC

InChI

InChI=1S/C27H31N3O3/c1-4-20-9-11-21(12-10-20)25-18-24(27(32)33-5-2)28-30(25)23-15-13-22(14-16-23)26(31)29-17-7-6-8-19(29)3/h9-16,18-19H,4-8,17H2,1-3H3