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

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]-3-phenylmethoxy-benzenecarbonitrile Openeye Name: 3-benzyloxy-4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]-3-phenylmethoxybenzonitrile IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3-phenylmethoxybenzonitrile Traditional Name: 3-benzoxy-4-[2-(4-benzylpiperazino)-2-keto-ethoxy]benzonitrile Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c28-18-24-11-12-25(26(17-24)32-20-23-9-5-2-6-10-23)33-21-27(31)30-15-13-29(14-16-30)19-22-7-3-1-4-8-22/h1-12,17H,13-16,19-21H2