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

Systemtic Name: 3-ethoxy-4-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-benzoylpiperazin-1-yl)-2-oxo-ethoxy]-3-ethoxy-benzonitrile CAS Name: 4-[2-(4-benzoyl-1-piperazinyl)-2-oxoethoxy]-3-ethoxybenzonitrile IUPAC Name: 4-[2-(4-benzoylpiperazin-1-yl)-2-oxoethoxy]-3-ethoxybenzonitrile Traditional Name: 4-[2-(4-benzoylpiperazino)-2-keto-ethoxy]-3-ethoxy-benzonitrile Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-2-28-20-14-17(15-23)8-9-19(20)29-16-21(26)24-10-12-25(13-11-24)22(27)18-6-4-3-5-7-18/h3-9,14H,2,10-13,16H2,1H3