3-ethanoyl-N-[[3-[6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridin-2-yl]phenyl]methyl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-ethanoyl-N-[[3-[6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridin-2-yl]phenyl]methyl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-acetyl-N-[[3-[6-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridyl]phenyl]methyl]benzamide; 2,2,2-trifluoroacetic acid CAS Name: 3-acetyl-N-[[3-[6-[[(3S)-3-methyl-1-piperazinyl]methyl]-2-pyridinyl]phenyl]methyl]benzamide; 2,2,2-trifluoroacetic acid IUPAC Name: 3-acetyl-N-[[3-[6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridin-2-yl]phenyl]methyl]benzamide; 2,2,2-trifluoroacetic acid Traditional Name: 3-acetyl-N-[3-[6-[[(3S)-3-methylpiperazino]methyl]-2-pyridyl]benzyl]benzamide; 2,2,2-trifluoroacetic acid Formula: C29H31F3N4O4 MolecularWeight: 556.57605

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CC=CC(=N2)C3=CC(=CC=C3)CNC(=O)C4=CC=CC(=C4)C(=O)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

C[C@H]1CN(CCN1)CC2=CC=CC(=N2)C3=CC(=CC=C3)CNC(=O)C4=CC=CC(=C4)C(=O)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H30N4O2.C2HF3O2/c1-19-17-31(13-12-28-19)18-25-10-5-11-26(30-25)23-8-3-6-21(14-23)16-29-27(33)24-9-4-7-22(15-24)20(2)32;3-2(4,5)1(6)7/h3-11,14-15,19,28H,12-13,16-18H2,1-2H3,(H,29,33);(H,6,7)/t19-;/m0./s1