ethyl 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(3-chlorophenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-2-29-22(28)15-8-10-25(11-9-15)21(27)18-14-19(20-7-4-12-30-20)26(24-18)17-6-3-5-16(23)13-17/h3-7,12-15H,2,8-11H2,1H3