N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]-3-bromanyl-benzamide

Systemtic Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]-3-bromanyl-benzamide Openeye Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-bromo-benzamide CAS Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-3-bromobenzamide IUPAC Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-bromobenzamide Traditional Name: N-[2-[[[3-(aminomethyl)benzyl]-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-bromo-benzamide Formula: C29H32BrN3O2 MolecularWeight: 534.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=CC(=C2)CN)CC3=CC=CC=C3NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC(=C2)CN)CC3=CC=CC=C3NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C29H32BrN3O2/c30-26-14-7-13-24(17-26)28(34)32-27-15-5-4-12-25(27)20-33(29(35)23-10-2-1-3-11-23)19-22-9-6-8-21(16-22)18-31/h4-9,12-17,23H,1-3,10-11,18-20,31H2,(H,32,34)