(2E)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide hydrate

Systemtic Name: (2E)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide hydrate Openeye Name: (2E)-N-[4-(3-pyridyl)butyl]penta-2,4-dienamide hydrate CAS Name: (2E)-N-[4-(3-pyridinyl)butyl]penta-2,4-dienamide hydrate IUPAC Name: (2E)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide hydrate Traditional Name: (2E)-N-[4-(3-pyridyl)butyl]penta-2,4-dienamide hydrate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=CC(=O)NCCCCC1=CN=CC=C1.O

Isomeric SMILES

C=C/C=C/C(=O)NCCCCC1=CN=CC=C1.O

InChI

InChI=1S/C14H18N2O.H2O/c1-2-3-9-14(17)16-11-5-4-7-13-8-6-10-15-12-13;/h2-3,6,8-10,12H,1,4-5,7,11H2,(H,16,17);1H2/b9-3+;