(E)-3-[5-(4-ethanoylphenyl)furan-2-yl]-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[5-(4-ethanoylphenyl)furan-2-yl]-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[5-(4-acetylphenyl)-2-furyl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[5-(4-acetylphenyl)-2-furanyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[5-(4-acetylphenyl)-2-furyl]-2-(4-methylpiperazine-1-carbonyl)acrylonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H21N3O3/c1-15(25)16-3-5-17(6-4-16)20-8-7-19(27-20)13-18(14-22)21(26)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3/b18-13+