4-[[2-(3-chloranyl-4-fluoranyl-phenyl)-2-piperazin-1-yl-ethoxy]methyl]-3-methoxy-naphthalene-2-carbonitrile

Systemtic Name: 4-[[2-(3-chloranyl-4-fluoranyl-phenyl)-2-piperazin-1-yl-ethoxy]methyl]-3-methoxy-naphthalene-2-carbonitrile Openeye Name: 4-[[2-(3-chloro-4-fluoro-phenyl)-2-piperazin-1-yl-ethoxy]methyl]-3-methoxy-naphthalene-2-carbonitrile CAS Name: 4-[[2-(3-chloro-4-fluorophenyl)-2-(1-piperazinyl)ethoxy]methyl]-3-methoxy-2-naphthalenecarbonitrile IUPAC Name: 4-[[2-(3-chloro-4-fluorophenyl)-2-piperazin-1-ylethoxy]methyl]-3-methoxynaphthalene-2-carbonitrile Traditional Name: 4-[[2-(3-chloro-4-fluoro-phenyl)-2-piperazino-ethoxy]methyl]-3-methoxy-naphthalene-2-carbonitrile Formula: C25H25ClFN3O2 MolecularWeight: 453.936303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C#N)COCC(C3=CC(=C(C=C3)F)Cl)N4CCNCC4

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C#N)COCC(C3=CC(=C(C=C3)F)Cl)N4CCNCC4

InChI

InChI=1S/C25H25ClFN3O2/c1-31-25-19(14-28)12-17-4-2-3-5-20(17)21(25)15-32-16-24(30-10-8-29-9-11-30)18-6-7-23(27)22(26)13-18/h2-7,12-13,24,29H,8-11,15-16H2,1H3