N3-(2-azanylethyl)-N1-(3-fluorophenyl)-4-(2-phenylethanoyl)piperazine-1,3-dicarboxamide

Systemtic Name: N3-(2-azanylethyl)-N1-(3-fluorophenyl)-4-(2-phenylethanoyl)piperazine-1,3-dicarboxamide Openeye Name: N3-(2-aminoethyl)-N1-(3-fluorophenyl)-4-(2-phenylacetyl)piperazine-1,3-dicarboxamide CAS Name: N3-(2-aminoethyl)-N1-(3-fluorophenyl)-4-(1-oxo-2-phenylethyl)piperazine-1,3-dicarboxamide IUPAC Name: 3-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-4-(2-phenylacetyl)piperazine-1,3-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-fluorophenyl)-4-(2-phenylacetyl)piperazine-1,3-dicarboxamide Formula: C22H26FN5O3 MolecularWeight: 427.471943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(CN1C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26FN5O3/c23-17-7-4-8-18(14-17)26-22(31)27-11-12-28(19(15-27)21(30)25-10-9-24)20(29)13-16-5-2-1-3-6-16/h1-8,14,19H,9-13,15,24H2,(H,25,30)(H,26,31)