methanamine; 2-[4-(5-phenylpentanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: methanamine; 2-[4-(5-phenylpentanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: methanamine; 2-[4-(5-phenylpentanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: methanamine; 2-[4-(1-oxo-5-phenylpentyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: methanamine; 2-[4-(5-phenylpentanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: methylamine; 2-[4-(5-phenylpentanoyl)piperazino]-2-(3-pyridyl)acetonitrile Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CN.C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CN.C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O.CH5N/c23-17-21(20-10-6-12-24-18-20)25-13-15-26(16-14-25)22(27)11-5-4-9-19-7-2-1-3-8-19;1-2/h1-3,6-8,10,12,18,21H,4-5,9,11,13-16H2;2H2,1H3