N-(2-hydroxyethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(2-hydroxyethyl)-4-[3-(1-methyl-4-pyrazolyl)phenyl]-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(2-hydroxyethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)isonipecotamide Formula: C23H26N8O2 MolecularWeight: 446.50494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)C(=O)NCCO

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)C(=O)NCCO

InChI

InChI=1S/C23H26N8O2/c1-30-13-17(12-29-30)16-3-2-4-18(11-16)23(22(33)24-7-10-32)5-8-31(9-6-23)21-19-20(26-14-25-19)27-15-28-21/h2-4,11-15,32H,5-10H2,1H3,(H,24,33)(H,25,26,27,28)