3-[[3-azanylpropyl-[(3-bromanyl-4-methoxy-phenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-azanylpropyl-[(3-bromanyl-4-methoxy-phenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[3-aminopropyl-[(3-bromo-4-methoxy-phenyl)methyl]amino]methyl]benzonitrile CAS Name: 3-[[3-aminopropyl-[(3-bromo-4-methoxyphenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 3-[[3-aminopropyl-[(3-bromo-4-methoxyphenyl)methyl]amino]methyl]benzonitrile Traditional Name: 3-[[3-aminopropyl-(3-bromo-4-methoxy-benzyl)amino]methyl]benzonitrile Formula: C19H22BrN3O MolecularWeight: 388.30148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCCN)CC2=CC=CC(=C2)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCCN)CC2=CC=CC(=C2)C#N)Br

InChI

InChI=1S/C19H22BrN3O/c1-24-19-7-6-17(11-18(19)20)14-23(9-3-8-21)13-16-5-2-4-15(10-16)12-22/h2,4-7,10-11H,3,8-9,13-14,21H2,1H3