4-[[4-[5-(4-ethanoylphenyl)furan-2-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[5-(4-ethanoylphenyl)furan-2-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-(4-acetylphenyl)-2-furanyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[5-(4-acetylphenyl)-2-furoyl]piperazino]methyl]benzonitrile Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H23N3O3/c1-18(29)21-6-8-22(9-7-21)23-10-11-24(31-23)25(30)28-14-12-27(13-15-28)17-20-4-2-19(16-26)3-5-20/h2-11H,12-15,17H2,1H3