4-[[5-[[4-(4-bromanyl-3-methyl-phenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(4-bromanyl-3-methyl-phenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(4-bromo-3-methyl-benzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[(4-bromo-3-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(4-bromo-3-methylbenzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(4-bromo-3-methyl-benzoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C24H24BrN5O MolecularWeight: 478.38426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N)Br

InChI

InChI=1S/C24H24BrN5O/c1-18-12-21(6-7-23(18)25)24(31)29-10-8-28(9-11-29)16-22-14-27-17-30(22)15-20-4-2-19(13-26)3-5-20/h2-7,12,14,17H,8-11,15-16H2,1H3