3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-bromophenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-bromophenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-bromophenyl)methyl]amino]methyl]benzonitrile CAS Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-bromophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-bromophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 3-[[[4-(aminomethyl)cyclohexyl]methyl-(4-bromobenzyl)amino]methyl]benzonitrile Formula: C23H28BrN3 MolecularWeight: 426.39252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)Br)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC(CCC1CN)CN(CC2=CC=C(C=C2)Br)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H28BrN3/c24-23-10-8-20(9-11-23)16-27(15-19-6-4-18(13-25)5-7-19)17-22-3-1-2-21(12-22)14-26/h1-3,8-12,18-19H,4-7,13,15-17,25H2