3-[[3-azanylpropyl-[(4-bromophenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-azanylpropyl-[(4-bromophenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[3-aminopropyl-[(4-bromophenyl)methyl]amino]methyl]benzonitrile CAS Name: 3-[[3-aminopropyl-[(4-bromophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 3-[[3-aminopropyl-[(4-bromophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 3-[[3-aminopropyl-(4-bromobenzyl)amino]methyl]benzonitrile Formula: C18H20BrN3 MolecularWeight: 358.2755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN(CCCN)CC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN(CCCN)CC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C18H20BrN3/c19-18-7-5-15(6-8-18)13-22(10-2-9-20)14-17-4-1-3-16(11-17)12-21/h1,3-8,11H,2,9-10,13-14,20H2