3-[2-(6-acetamidopyridin-3-yl)ethyl]-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[2-(6-acetamidopyridin-3-yl)ethyl]-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[2-(6-acetamido-3-pyridyl)ethyl]-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[2-(6-acetamido-3-pyridinyl)ethyl]-N-[4-(1-piperazinyl)-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[2-(6-acetamidopyridin-3-yl)ethyl]-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[2-(6-acetamido-3-pyridyl)ethyl]-N-[4-piperazino-3-(trifluoromethyl)phenyl]benzamide Formula: C27H28F3N5O2 MolecularWeight: 511.53873

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)CCC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)N4CCNCC4)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)CCC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)N4CCNCC4)C(F)(F)F

InChI

InChI=1S/C27H28F3N5O2/c1-18(36)33-25-10-7-20(17-32-25)6-5-19-3-2-4-21(15-19)26(37)34-22-8-9-24(23(16-22)27(28,29)30)35-13-11-31-12-14-35/h2-4,7-10,15-17,31H,5-6,11-14H2,1H3,(H,34,37)(H,32,33,36)