ethyl (3S)-1-(3-methyl-1,5-diphenyl-pyrazol-4-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-methyl-1,5-diphenyl-pyrazol-4-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-methyl-1,5-diphenyl-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methyl-1,5-diphenyl-4-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-methyl-1,5-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-methyl-1,5-diphenyl-pyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-3-31-25(30)20-13-10-16-27(17-20)24(29)22-18(2)26-28(21-14-8-5-9-15-21)23(22)19-11-6-4-7-12-19/h4-9,11-12,14-15,20H,3,10,13,16-17H2,1-2H3/t20-/m0/s1