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

Systemtic Name: N-[2-[4-[cyano(pyridin-3-yl)methyl]piperazin-1-yl]ethyl]-2,2-diphenyl-ethanamide Openeye Name: N-[2-[4-[cyano(3-pyridyl)methyl]piperazin-1-yl]ethyl]-2,2-diphenyl-acetamide CAS Name: N-[2-[4-[cyano(3-pyridinyl)methyl]-1-piperazinyl]ethyl]-2,2-diphenylacetamide IUPAC Name: N-[2-[4-[cyano(pyridin-3-yl)methyl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide Traditional Name: N-[2-[4-[cyano(3-pyridyl)methyl]piperazino]ethyl]-2,2-diphenyl-acetamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C#N)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C#N)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5O/c28-20-25(24-12-7-13-29-21-24)32-18-16-31(17-19-32)15-14-30-27(33)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,21,25-26H,14-19H2,(H,30,33)