4-[[4-(2-pyrrolidin-1-ylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-pyrrolidin-1-ylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(1-pyrrolidinyl)-3-pyridinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-pyrrolidinonicotinoyl)piperazino]methyl]benzonitrile Formula: C22H25N5O MolecularWeight: 375.4668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H25N5O/c23-16-18-5-7-19(8-6-18)17-25-12-14-27(15-13-25)22(28)20-4-3-9-24-21(20)26-10-1-2-11-26/h3-9H,1-2,10-15,17H2