3-[1-[4-(4-chlorophenyl)-4-phenylmethoxy-piperidin-3-yl]oxy-2-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 3-[1-[4-(4-chlorophenyl)-4-phenylmethoxy-piperidin-3-yl]oxy-2-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 3-[1-[[4-benzyloxy-4-(4-chlorophenyl)-3-piperidyl]oxy]-2-oxo-propyl]benzonitrile CAS Name: 3-[1-[[4-(4-chlorophenyl)-4-phenylmethoxy-3-piperidinyl]oxy]-2-oxopropyl]benzonitrile IUPAC Name: 3-[1-[4-(4-chlorophenyl)-4-phenylmethoxypiperidin-3-yl]oxy-2-oxopropyl]benzonitrile Traditional Name: 3-[1-[[4-benzoxy-4-(4-chlorophenyl)-3-piperidyl]oxy]-2-keto-propyl]benzonitrile Formula: C28H27ClN2O3 MolecularWeight: 474.97858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC(=C1)C#N)OC2CNCCC2(C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C(C1=CC=CC(=C1)C#N)OC2CNCCC2(C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27ClN2O3/c1-20(32)27(23-9-5-8-22(16-23)17-30)34-26-18-31-15-14-28(26,24-10-12-25(29)13-11-24)33-19-21-6-3-2-4-7-21/h2-13,16,26-27,31H,14-15,18-19H2,1H3