ethyl (3S)-1-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)nipecotic acid ethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-2-34-27(33)21-14-9-15-30(18-21)26(32)23-17-25-28-22(19-10-5-3-6-11-19)16-24(31(25)29-23)20-12-7-4-8-13-20/h3-8,10-13,16-17,21H,2,9,14-15,18H2,1H3/t21-/m0/s1