(2E)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide hydrate

Systemtic Name: (2E)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide hydrate Openeye Name: (2E)-5,5-diphenyl-N-[4-(3-pyridyl)butyl]penta-2,4-dienamide hydrate CAS Name: (2E)-5,5-diphenyl-N-[4-(3-pyridinyl)butyl]penta-2,4-dienamide hydrate IUPAC Name: (2E)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide hydrate Traditional Name: (2E)-5,5-diphenyl-N-[4-(3-pyridyl)butyl]penta-2,4-dienamide hydrate Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC=CC(=O)NCCCCC2=CN=CC=C2)C3=CC=CC=C3.O

Isomeric SMILES

C1=CC=C(C=C1)C(=C/C=C/C(=O)NCCCCC2=CN=CC=C2)C3=CC=CC=C3.O

InChI

InChI=1S/C26H26N2O.H2O/c29-26(28-20-8-7-11-22-12-10-19-27-21-22)18-9-17-25(23-13-3-1-4-14-23)24-15-5-2-6-16-24;/h1-6,9-10,12-19,21H,7-8,11,20H2,(H,28,29);1H2/b18-9+;