2-(4-ethanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile; 1-phenyl-N-(phenylmethyl)methanamine

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-2-pyridin-3-yl-ethanenitrile; 1-phenyl-N-(phenylmethyl)methanamine Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-(3-pyridyl)acetonitrile; N-benzyl-1-phenyl-methanamine CAS Name: 2-(4-acetyl-1-piperazinyl)-2-(3-pyridinyl)acetonitrile; 1-phenyl-N-(phenylmethyl)methanamine IUPAC Name: 2-(4-acetylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile; N-benzyl-1-phenylmethanamine Traditional Name: 2-(4-acetylpiperazino)-2-(3-pyridyl)acetonitrile; dibenzylamine Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2.C1=CC=C(C=C1)CNCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2.C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C14H15N.C13H16N4O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-11(18)16-5-7-17(8-6-16)13(9-14)12-3-2-4-15-10-12/h1-10,15H,11-12H2;2-4,10,13H,5-8H2,1H3