(E)-2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]carbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]carbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(benzofuran-2-carbonyl)piperazine-1-carbonyl]-3-(4-isopropylphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-3-(4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]-3-(4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(benzofuran-2-carbonyl)piperazine-1-carbonyl]-3-p-cumenyl-acrylonitrile Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H25N3O3/c1-18(2)20-9-7-19(8-10-20)15-22(17-27)25(30)28-11-13-29(14-12-28)26(31)24-16-21-5-3-4-6-23(21)32-24/h3-10,15-16,18H,11-14H2,1-2H3/b22-15+