N-[9-(4-chlorophenyl)-8-(2-fluorophenyl)purin-6-yl]-4-propan-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[9-(4-chlorophenyl)-8-(2-fluorophenyl)purin-6-yl]-4-propan-2-yl-piperidine-4-carboxamide Openeye Name: N-[9-(4-chlorophenyl)-8-(2-fluorophenyl)purin-6-yl]-4-isopropyl-piperidine-4-carboxamide CAS Name: N-[9-(4-chlorophenyl)-8-(2-fluorophenyl)-6-purinyl]-4-propan-2-yl-4-piperidinecarboxamide IUPAC Name: N-[9-(4-chlorophenyl)-8-(2-fluorophenyl)purin-6-yl]-4-propan-2-ylpiperidine-4-carboxamide Traditional Name: N-[9-(4-chlorophenyl)-8-(2-fluorophenyl)purin-6-yl]-4-isopropyl-isonipecotamide Formula: C26H26ClFN6O MolecularWeight: 492.975643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCNCC1)C(=O)NC2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5F

Isomeric SMILES

CC(C)C1(CCNCC1)C(=O)NC2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5F

InChI

InChI=1S/C26H26ClFN6O/c1-16(2)26(11-13-29-14-12-26)25(35)33-22-21-24(31-15-30-22)34(18-9-7-17(27)8-10-18)23(32-21)19-5-3-4-6-20(19)28/h3-10,15-16,29H,11-14H2,1-2H3,(H,30,31,33,35)