(E)-3-[4-(azepan-1-yl)phenyl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-(2-thenoyl)acrylonitrile Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=C(C#N)C(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N2OS/c21-15-17(20(23)19-6-5-13-24-19)14-16-7-9-18(10-8-16)22-11-3-1-2-4-12-22/h5-10,13-14H,1-4,11-12H2/b17-14+