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

Systemtic Name: methanamine; 2-[4-(3-phenylbutanoyl)piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: methanamine; 2-[4-(3-phenylbutanoyl)piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: methanamine; 2-[4-(1-oxo-3-phenylbutyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: methanamine; 2-[4-(3-phenylbutanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: methylamine; 2-[4-(3-phenylbutanoyl)piperazino]-2-(3-pyridyl)acetonitrile Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2)C3=CC=CC=C3.CN

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2)C3=CC=CC=C3.CN

InChI

InChI=1S/C21H24N4O.CH5N/c1-17(18-6-3-2-4-7-18)14-21(26)25-12-10-24(11-13-25)20(15-22)19-8-5-9-23-16-19;1-2/h2-9,16-17,20H,10-14H2,1H3;2H2,1H3