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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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