(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-[5-(azepan-1-yl)-2-furyl]-2-benzoyl-prop-2-enenitrile CAS Name: (E)-3-[5-(1-azepanyl)-2-furanyl]-2-benzoyl-2-propenenitrile IUPAC Name: (E)-3-[5-(azepan-1-yl)furan-2-yl]-2-benzoylprop-2-enenitrile Traditional Name: (E)-3-[5-(azepan-1-yl)-2-furyl]-2-benzoyl-acrylonitrile Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(O2)C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(O2)/C=C(\C#N)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2/c21-15-17(20(23)16-8-4-3-5-9-16)14-18-10-11-19(24-18)22-12-6-1-2-7-13-22/h3-5,8-11,14H,1-2,6-7,12-13H2/b17-14+