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

Systemtic Name: 4-[[4-(2-morpholin-4-ylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-morpholinopyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-morpholinyl)-3-pyridinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-morpholin-4-ylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-morpholinonicotinoyl)piperazino]methyl]benzonitrile Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(N=CC=C3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(N=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H25N5O2/c23-16-18-3-5-19(6-4-18)17-25-8-10-27(11-9-25)22(28)20-2-1-7-24-21(20)26-12-14-29-15-13-26/h1-7H,8-15,17H2