3-(diethylaminomethyl)-N-[[4-fluoranyl-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-(diethylaminomethyl)-N-[[4-fluoranyl-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-(diethylaminomethyl)-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide; 2,2,2-trifluoroacetic acid CAS Name: 3-(diethylaminomethyl)-N-[[4-fluoro-3-[3-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]phenyl]methyl]benzamide; 2,2,2-trifluoroacetic acid IUPAC Name: 3-(diethylaminomethyl)-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide; 2,2,2-trifluoroacetic acid Traditional Name: 3-(diethylaminomethyl)-N-[4-fluoro-3-[3-[[(3S)-3-methylpiperazino]methyl]phenyl]benzyl]benzamide; 2,2,2-trifluoroacetic acid Formula: C37H42F10N4O7 MolecularWeight: 844.736012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC(=C1)C(=O)NCC2=CC(=C(C=C2)F)C3=CC(=CC=C3)CN4CCNC(C4)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCN(CC)CC1=CC=CC(=C1)C(=O)NCC2=CC(=C(C=C2)F)C3=CC(=CC=C3)CN4CCN[C@H](C4)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C31H39FN4O.3C2HF3O2/c1-4-35(5-2)21-26-9-7-11-28(17-26)31(37)34-19-24-12-13-30(32)29(18-24)27-10-6-8-25(16-27)22-36-15-14-33-23(3)20-36;3*3-2(4,5)1(6)7/h6-13,16-18,23,33H,4-5,14-15,19-22H2,1-3H3,(H,34,37);3*(H,6,7)/t23-;;;/m0.../s1