ethyl 4-[[3-[[(4-cyanophenyl)carbamoylamino]methyl]-4-fluoranyl-phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[[(4-cyanophenyl)carbamoylamino]methyl]-4-fluoranyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[[(4-cyanophenyl)carbamoylamino]methyl]-4-fluoro-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[(4-cyanoanilino)-oxomethyl]amino]methyl]-4-fluorophenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[[(4-cyanophenyl)carbamoylamino]methyl]-4-fluorophenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(4-cyanophenyl)carbamoylamino]methyl]-4-fluoro-benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H26FN5O3 MolecularWeight: 439.482643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)F)CNC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26FN5O3/c1-2-32-23(31)29-11-9-28(10-12-29)16-18-5-8-21(24)19(13-18)15-26-22(30)27-20-6-3-17(14-25)4-7-20/h3-8,13H,2,9-12,15-16H2,1H3,(H2,26,27,30)