4-[5-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-(4-phenyl-1-piperazinyl)prop-1-enyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(4-phenylpiperazino)prop-1-enyl]-2-furyl]benzoate Formula: C25H20N3O4- MolecularWeight: 426.444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])/C#N

InChI

InChI=1S/C25H21N3O4/c26-17-20(24(29)28-14-12-27(13-15-28)21-4-2-1-3-5-21)16-22-10-11-23(32-22)18-6-8-19(9-7-18)25(30)31/h1-11,16H,12-15H2,(H,30,31)/p-1/b20-16+