N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[2-(3-bromophenyl)ethanoyl-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[2-(3-bromophenyl)ethanoyl-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[[2-(3-bromophenyl)acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[[2-(3-bromophenyl)-1-oxoethyl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[[2-(3-bromophenyl)acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-[3-[[[2-(3-bromophenyl)acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]benzamide Formula: C38H42BrN3O3 MolecularWeight: 668.66238

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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(=CC=C5)Br)CN

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(=CC=C5)Br)CN

InChI

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