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

Systemtic Name: ethyl 1-[7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C27H27ClN4O2 MolecularWeight: 474.98188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O2/c1-3-34-27(33)20-11-13-31(14-12-20)25-24-22(19-7-5-4-6-8-19)16-32(26(24)30-17-29-25)21-10-9-18(2)23(28)15-21/h4-10,15-17,20H,3,11-14H2,1-2H3