tert-butyl 4-[3-[(4-ethoxyphenyl)carbamoyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(4-ethoxyphenyl)carbamoyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-ethoxyphenyl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-[(4-ethoxyanilino)-oxomethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-ethoxyphenyl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Traditional Name: 4-[7-keto-3-(p-phenetylcarbamoyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CNN3C2=NC(=CC3=O)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CNN3C2=NC(=CC3=O)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N5O5/c1-5-34-18-8-6-17(7-9-18)27-23(32)19-15-26-30-21(31)14-20(28-22(19)30)16-10-12-29(13-11-16)24(33)35-25(2,3)4/h6-9,14-16,26H,5,10-13H2,1-4H3,(H,27,32)