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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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