N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[2-(4-bromophenyl)ethanoyl-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[2-(4-bromophenyl)ethanoyl-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[[2-(4-bromophenyl)acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide; 2,2,2-trifluoroacetic acid CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[[2-(4-bromophenyl)-1-oxoethyl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[[2-(4-bromophenyl)acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[[2-(4-bromophenyl)acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide; 2,2,2-trifluoroacetic acid Formula: C40H43BrF3N3O5 MolecularWeight: 782.68573

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)CN(CCC4=CC=C(C=C4)O)C(=O)CC5=CC=C(C=C5)Br)CN.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)CN(CCC4=CC=C(C=C4)O)C(=O)CC5=CC=C(C=C5)Br)CN.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C38H42BrN3O3.C2HF3O2/c39-35-14-10-28(11-15-35)22-37(44)42(19-18-27-12-16-36(43)17-13-27)26-31-6-2-7-32(21-31)33-8-3-9-34(23-33)38(45)41-25-30-5-1-4-29(20-30)24-40;3-2(4,5)1(6)7/h2-3,6-17,21,23,29-30,43H,1,4-5,18-20,22,24-26,40H2,(H,41,45);(H,6,7)