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

Systemtic Name: 3-ethoxy-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethoxy]-3-ethoxy-benzonitrile CAS Name: 3-ethoxy-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3-ethoxybenzonitrile Traditional Name: 4-[2-(4-benzylpiperazino)-2-keto-ethoxy]-3-ethoxy-benzonitrile Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-2-27-21-14-19(15-23)8-9-20(21)28-17-22(26)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14H,2,10-13,16-17H2,1H3