ethyl 4-[2-(1H-pyrazol-4-yl)quinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1H-pyrazol-4-yl)quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(1H-pyrazol-4-yl)-4-quinolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CNN=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CNN=C4

InChI

InChI=1S/C20H21N5O3/c1-2-28-20(27)25-9-7-24(8-10-25)19(26)16-11-18(14-12-21-22-13-14)23-17-6-4-3-5-15(16)17/h3-6,11-13H,2,7-10H2,1H3,(H,21,22)