4-[2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]propanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]propanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]propanoylamino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-1-oxopropyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]propanoylamino]-N,N-diethylbenzamide Traditional Name: 4-[2-[4-(2-cyano-3-fluoro-phenyl)piperazino]propanoylamino]-N,N-diethyl-benzamide Formula: C25H30FN5O2 MolecularWeight: 451.536403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C25H30FN5O2/c1-4-29(5-2)25(33)19-9-11-20(12-10-19)28-24(32)18(3)30-13-15-31(16-14-30)23-8-6-7-22(26)21(23)17-27/h6-12,18H,4-5,13-16H2,1-3H3,(H,28,32)