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

Systemtic Name: ethyl 1-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[7-(3-chlorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-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=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

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