3-ethoxy-4-[2-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-4-[2-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-[4-(1-naphthoyl)piperazino]ethoxy]benzonitrile Formula: C26H25N3O4 MolecularWeight: 443.4944

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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=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H25N3O4/c1-2-32-24-16-19(17-27)10-11-23(24)33-18-25(30)28-12-14-29(15-13-28)26(31)22-9-5-7-20-6-3-4-8-21(20)22/h3-11,16H,2,12-15,18H2,1H3