4-[[5-[(4-hexanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(4-hexanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[(4-hexanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(1-oxohexyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[(4-hexanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(4-caproylpiperazino)methyl]imidazol-1-yl]methyl]benzonitrile Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-2-3-4-5-22(28)26-12-10-25(11-13-26)17-21-15-24-18-27(21)16-20-8-6-19(14-23)7-9-20/h6-9,15,18H,2-5,10-13,16-17H2,1H3