4-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]benzenecarbonitrile Openeye Name: 4-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile CAS Name: 4-[3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile IUPAC Name: 4-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile Traditional Name: 4-[3-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile Formula: C20H19N5 MolecularWeight: 329.39836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC(=C2)C3=NNC(=N3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)CC2=CC=CC(=C2)C3=NNC(=N3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H19N5/c21-13-15-6-8-17(9-7-15)19-22-20(24-23-19)18-5-3-4-16(12-18)14-25-10-1-2-11-25/h3-9,12H,1-2,10-11,14H2,(H,22,23,24)