8-(4-fluorophenyl)-8-oxidanylidene-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-octanenitrile

Systemtic Name: 8-(4-fluorophenyl)-8-oxidanylidene-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-octanenitrile Openeye Name: 8-(4-fluorophenyl)-2-isopropyl-8-oxo-2-phenyl-6-piperazin-1-yl-octanenitrile CAS Name: 8-(4-fluorophenyl)-8-oxo-2-phenyl-6-(1-piperazinyl)-2-propan-2-yloctanenitrile IUPAC Name: 8-(4-fluorophenyl)-8-oxo-2-phenyl-6-piperazin-1-yl-2-propan-2-yloctanenitrile Traditional Name: 8-(4-fluorophenyl)-2-isopropyl-8-keto-2-phenyl-6-piperazino-caprylonitrile Formula: C27H34FN3O MolecularWeight: 435.576763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(CC(=O)C1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(CC(=O)C1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H34FN3O/c1-21(2)27(20-29,23-7-4-3-5-8-23)14-6-9-25(31-17-15-30-16-18-31)19-26(32)22-10-12-24(28)13-11-22/h3-5,7-8,10-13,21,25,30H,6,9,14-19H2,1-2H3