2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethoxy]benzonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N3O3/c1-16(25)17-6-8-19(9-7-17)23-10-12-24(13-11-23)21(26)15-27-20-5-3-2-4-18(20)14-22/h2-9H,10-13,15H2,1H3