ethyl 4-[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4C)C

InChI

InChI=1S/C22H25N5O3/c1-4-30-22(29)27-11-9-26(10-12-27)21(28)17-13-20(18-14-25(3)24-15(18)2)23-19-8-6-5-7-16(17)19/h5-8,13-14H,4,9-12H2,1-3H3