3-ethoxy-4-[2-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-[2-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-[4-(4-ethylbenzoyl)piperazino]-2-keto-ethoxy]benzonitrile Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C#N)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C#N)OCC

InChI

InChI=1S/C24H27N3O4/c1-3-18-5-8-20(9-6-18)24(29)27-13-11-26(12-14-27)23(28)17-31-21-10-7-19(16-25)15-22(21)30-4-2/h5-10,15H,3-4,11-14,17H2,1-2H3