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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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