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

Systemtic Name: 4-[[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-bromo-4-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-bromo-4-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C20H20BrN3O2/c1-26-19-7-6-17(12-18(19)21)20(25)24-10-8-23(9-11-24)14-16-4-2-15(13-22)3-5-16/h2-7,12H,8-11,14H2,1H3