2-(4-bromophenyl)-3-oxidanylidene-5-(2-piperidin-1-ylphenyl)octanenitrile

Systemtic Name: 2-(4-bromophenyl)-3-oxidanylidene-5-(2-piperidin-1-ylphenyl)octanenitrile Openeye Name: 2-(4-bromophenyl)-3-oxo-5-[2-(1-piperidyl)phenyl]octanenitrile CAS Name: 2-(4-bromophenyl)-3-oxo-5-[2-(1-piperidinyl)phenyl]octanenitrile IUPAC Name: 2-(4-bromophenyl)-3-oxo-5-(2-piperidin-1-ylphenyl)octanenitrile Traditional Name: 2-(4-bromophenyl)-3-keto-5-(2-piperidinophenyl)caprylonitrile Formula: C25H29BrN2O MolecularWeight: 453.41456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)C(C#N)C1=CC=C(C=C1)Br)C2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CCCC(CC(=O)C(C#N)C1=CC=C(C=C1)Br)C2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C25H29BrN2O/c1-2-8-20(17-25(29)23(18-27)19-11-13-21(26)14-12-19)22-9-4-5-10-24(22)28-15-6-3-7-16-28/h4-5,9-14,20,23H,2-3,6-8,15-17H2,1H3