4-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-bromo-4-methoxy-benzyl)piperazino]methyl]benzonitrile Formula: C20H22BrN3O MolecularWeight: 400.31218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C20H22BrN3O/c1-25-20-7-6-18(12-19(20)21)15-24-10-8-23(9-11-24)14-17-4-2-16(13-22)3-5-17/h2-7,12H,8-11,14-15H2,1H3