4-[[5-[[4-(2-ethyl-2-methyl-butanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(2-ethyl-2-methyl-butanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(2-ethyl-2-methyl-butanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(2-ethyl-2-methyl-1-oxobutyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(2-ethyl-2-methylbutanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(2-ethyl-2-methyl-butanoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)(CC)C(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H31N5O/c1-4-23(3,5-2)22(29)27-12-10-26(11-13-27)17-21-15-25-18-28(21)16-20-8-6-19(14-24)7-9-20/h6-9,15,18H,4-5,10-13,16-17H2,1-3H3