(E)-N-(3-chlorophenyl)-2-cyano-but-2-enamide; 1-(furan-2-yl)azepane

Systemtic Name: (E)-N-(3-chlorophenyl)-2-cyano-but-2-enamide; 1-(furan-2-yl)azepane Openeye Name: (E)-N-(3-chlorophenyl)-2-cyano-but-2-enamide; 1-(2-furyl)azepane CAS Name: (E)-N-(3-chlorophenyl)-2-cyano-2-butenamide; 1-(2-furanyl)azepane IUPAC Name: (E)-N-(3-chlorophenyl)-2-cyanobut-2-enamide; 1-(furan-2-yl)azepane Traditional Name: (E)-N-(3-chlorophenyl)-2-cyano-but-2-enamide; 1-(2-furyl)azepane Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C#N)C(=O)NC1=CC(=CC=C1)Cl.C1CCCN(CC1)C2=CC=CO2

Isomeric SMILES

C/C=C(\C#N)/C(=O)NC1=CC(=CC=C1)Cl.C1CCCN(CC1)C2=CC=CO2

InChI

InChI=1S/C11H9ClN2O.C10H15NO/c1-2-8(7-13)11(15)14-10-5-3-4-9(12)6-10;1-2-4-8-11(7-3-1)10-6-5-9-12-10/h2-6H,1H3,(H,14,15);5-6,9H,1-4,7-8H2/b8-2+;