5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)benzenecarbonitrile

Systemtic Name: 5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)benzenecarbonitrile Openeye Name: 5-[2-[5-(4-chlorophenyl)-2-pyridyl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)benzonitrile CAS Name: 5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-[2-(1-pyrrolidinyl)ethoxy]benzonitrile IUPAC Name: 5-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)benzonitrile Traditional Name: 5-[2-[5-(4-chlorophenyl)-2-pyridyl]ethynyl]-2-(2-pyrrolidinoethoxy)benzonitrile Formula: C26H22ClN3O MolecularWeight: 427.92538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=C(C=C(C=C2)C#CC3=NC=C(C=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCN(C1)CCOC2=C(C=C(C=C2)C#CC3=NC=C(C=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C26H22ClN3O/c27-24-8-5-21(6-9-24)22-7-11-25(29-19-22)10-3-20-4-12-26(23(17-20)18-28)31-16-15-30-13-1-2-14-30/h4-9,11-12,17,19H,1-2,13-16H2