ethyl 5-azanyl-3-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-(2-chloro-4-fluoro-benzyl)piperazino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H22ClFN4O2S MolecularWeight: 436.930683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN4O2S/c1-2-28-20(27)18-16(15(10-23)19(24)29-18)12-26-7-5-25(6-8-26)11-13-3-4-14(22)9-17(13)21/h3-4,9H,2,5-8,11-12,24H2,1H3