[4-[cyano(pyridin-3-yl)methyl]piperazin-1-yl] 3,3-diphenylpropanoate

Systemtic Name: [4-[cyano(pyridin-3-yl)methyl]piperazin-1-yl] 3,3-diphenylpropanoate Openeye Name: [4-[cyano(3-pyridyl)methyl]piperazin-1-yl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid [4-[cyano(3-pyridinyl)methyl]-1-piperazinyl] ester IUPAC Name: [4-[cyano(pyridin-3-yl)methyl]piperazin-1-yl] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [4-[cyano(3-pyridyl)methyl]piperazino] ester Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)OC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)OC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2/c27-19-25(23-12-7-13-28-20-23)29-14-16-30(17-15-29)32-26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,24-25H,14-18H2