2-(azepan-1-ylcarbonyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-(5-phenyl-2-furyl)prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-(5-phenyl-2-furanyl)-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-(5-phenyl-2-furyl)acrylonitrile Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N2O2/c21-15-17(20(23)22-12-6-1-2-7-13-22)14-18-10-11-19(24-18)16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13H2