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

Systemtic Name: 1-[7-(4-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide CAS Name: 1-[7-(4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]isonipecotamide Formula: C25H25N5O MolecularWeight: 411.4989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCC(CC4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCC(CC4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c1-17-7-9-20(10-8-17)30-15-21(18-5-3-2-4-6-18)22-24(27-16-28-25(22)30)29-13-11-19(12-14-29)23(26)31/h2-10,15-16,19H,11-14H2,1H3,(H2,26,31)