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

Systemtic Name: ethyl (3S)-1-[2-(4-methylphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-phenyl-2-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(4-methylphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-phenyl-2-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]nipecotic acid ethyl ester Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-3-33-27(32)22-10-7-15-30(18-22)26-17-23(20-8-5-4-6-9-20)28-25-16-24(29-31(25)26)21-13-11-19(2)12-14-21/h4-6,8-9,11-14,16-17,22H,3,7,10,15,18H2,1-2H3/t22-/m0/s1