2-[4-[cyano(pyridin-3-yl)methyl]piperazin-1-yl]-N-(3,3-diphenylpropyl)ethanamide

Systemtic Name: 2-[4-[cyano(pyridin-3-yl)methyl]piperazin-1-yl]-N-(3,3-diphenylpropyl)ethanamide Openeye Name: 2-[4-[cyano(3-pyridyl)methyl]piperazin-1-yl]-N-(3,3-diphenylpropyl)acetamide CAS Name: 2-[4-[cyano(3-pyridinyl)methyl]-1-piperazinyl]-N-(3,3-diphenylpropyl)acetamide IUPAC Name: 2-[4-[cyano(pyridin-3-yl)methyl]piperazin-1-yl]-N-(3,3-diphenylpropyl)acetamide Traditional Name: 2-[4-[cyano(3-pyridyl)methyl]piperazino]-N-(3,3-diphenylpropyl)acetamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(C#N)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(C#N)C4=CN=CC=C4

InChI

InChI=1S/C28H31N5O/c29-20-27(25-12-7-14-30-21-25)33-18-16-32(17-19-33)22-28(34)31-15-13-26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,14,21,26-27H,13,15-19,22H2,(H,31,34)