4-[[2-azanylethyl-[(3-bromophenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-azanylethyl-[(3-bromophenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[2-aminoethyl-[(3-bromophenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[2-aminoethyl-[(3-bromophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[2-aminoethyl-[(3-bromophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[2-aminoethyl-(3-bromobenzyl)amino]methyl]benzonitrile Formula: C17H18BrN3 MolecularWeight: 344.24892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3/c18-17-3-1-2-16(10-17)13-21(9-8-19)12-15-6-4-14(11-20)5-7-15/h1-7,10H,8-9,12-13,19H2