4-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C21H21ClFN3O3 MolecularWeight: 417.861143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H21ClFN3O3/c1-28-20-11-15(12-24)5-6-19(20)29-14-21(27)26-9-7-25(8-10-26)13-16-17(22)3-2-4-18(16)23/h2-6,11H,7-10,13-14H2,1H3