ethyl 1-[2-(3-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate CAS Name: 1-[2-(3-chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]isonipecotic acid ethyl ester Formula: C26H25ClN4O2 MolecularWeight: 460.9553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4O2/c1-2-33-26(32)19-11-13-30(14-12-19)25-17-22(18-7-4-3-5-8-18)28-24-16-23(29-31(24)25)20-9-6-10-21(27)15-20/h3-10,15-17,19H,2,11-14H2,1H3