3-acetamido-N-(2-azanylethyl)-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: 3-acetamido-N-(2-azanylethyl)-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-acetamido-N-(2-aminoethyl)-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-acetamido-N-(2-aminoethyl)-4-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]benzamide IUPAC Name: 3-acetamido-N-(2-aminoethyl)-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]benzamide Traditional Name: 3-acetamido-N-(2-aminoethyl)-4-[[4-(2-fluorophenyl)piperazino]methyl]benzamide Formula: C22H28FN5O2 MolecularWeight: 413.488423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCN)CN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCN)CN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H28FN5O2/c1-16(29)26-20-14-17(22(30)25-9-8-24)6-7-18(20)15-27-10-12-28(13-11-27)21-5-3-2-4-19(21)23/h2-7,14H,8-13,15,24H2,1H3,(H,25,30)(H,26,29)