N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5,6-dimethyl-7-phenyl-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5,6-dimethyl-7-phenyl-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-5,6-dimethyl-7-phenyl-4-(1-piperidyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-7-phenyl-4-(1-piperidinyl)-2-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide Traditional Name: N-(2-chloro-4-fluoro-benzyl)-5,6-dimethyl-7-phenyl-4-piperidino-pyrrolo[2,3-d]pyrimidine-2-carboxamide Formula: C27H27ClFN5O MolecularWeight: 491.987583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=C(C=C(C=C3)F)Cl)N4CCCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=C(C=C(C=C3)F)Cl)N4CCCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H27ClFN5O/c1-17-18(2)34(21-9-5-3-6-10-21)26-23(17)25(33-13-7-4-8-14-33)31-24(32-26)27(35)30-16-19-11-12-20(29)15-22(19)28/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,30,35)