9-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propyl]xanthene-9-carbonitrile

Systemtic Name: 9-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propyl]xanthene-9-carbonitrile Openeye Name: 9-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]propyl]xanthene-9-carbonitrile CAS Name: 9-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]propyl]-9-xanthenecarbonitrile IUPAC Name: 9-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]xanthene-9-carbonitrile Traditional Name: 9-[3-[4-(4-chlorophenyl)-4-hydroxy-piperidino]propyl]xanthene-9-carbonitrile Formula: C28H27ClN2O2 MolecularWeight: 458.97918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC3(C4=CC=CC=C4OC5=CC=CC=C53)C#N

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC3(C4=CC=CC=C4OC5=CC=CC=C53)C#N

InChI

InChI=1S/C28H27ClN2O2/c29-22-12-10-21(11-13-22)28(32)15-18-31(19-16-28)17-5-14-27(20-30)23-6-1-3-8-25(23)33-26-9-4-2-7-24(26)27/h1-4,6-13,32H,5,14-19H2