ethyl 1-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolyl)pyrazol-3-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolinyl)-3-pyrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-ethoxycarbonyl-2-(1-methyl-2-oxoquinolin-4-yl)pyrazol-3-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[4-carbethoxy-2-(2-keto-1-methyl-4-quinolyl)pyrazol-3-yl]methyl]nipecotic acid ethyl ester Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(C=NN2C3=CC(=O)N(C4=CC=CC=C43)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=C(C=NN2C3=CC(=O)N(C4=CC=CC=C43)C)C(=O)OCC

InChI

InChI=1S/C25H30N4O5/c1-4-33-24(31)17-9-8-12-28(15-17)16-22-19(25(32)34-5-2)14-26-29(22)21-13-23(30)27(3)20-11-7-6-10-18(20)21/h6-7,10-11,13-14,17H,4-5,8-9,12,15-16H2,1-3H3