3-[4-(4-chlorophenyl)-1-ethanoyl-4-phenylmethoxy-piperidin-3-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-chlorophenyl)-1-ethanoyl-4-phenylmethoxy-piperidin-3-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[1-acetyl-4-benzyloxy-4-(4-chlorophenyl)piperidine-3-carbonyl]benzonitrile CAS Name: 3-[[1-acetyl-4-(4-chlorophenyl)-4-phenylmethoxy-3-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[1-acetyl-4-(4-chlorophenyl)-4-phenylmethoxypiperidine-3-carbonyl]benzonitrile Traditional Name: 3-[1-acetyl-4-benzoxy-4-(4-chlorophenyl)nipecotoyl]benzonitrile Formula: C28H25ClN2O3 MolecularWeight: 472.9627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C(C1)C(=O)C2=CC=CC(=C2)C#N)(C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC(C(C1)C(=O)C2=CC=CC(=C2)C#N)(C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25ClN2O3/c1-20(32)31-15-14-28(24-10-12-25(29)13-11-24,34-19-21-6-3-2-4-7-21)26(18-31)27(33)23-9-5-8-22(16-23)17-30/h2-13,16,26H,14-15,18-19H2,1H3