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

Systemtic Name: ethyl 1-[7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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