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

Systemtic Name: 4-[[5-[(4-octanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[(4-octanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(1-oxooctyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[(4-octanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(4-caprylylpiperazino)methyl]imidazol-1-yl]methyl]benzonitrile Formula: C24H33N5O MolecularWeight: 407.55172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O/c1-2-3-4-5-6-7-24(30)28-14-12-27(13-15-28)19-23-17-26-20-29(23)18-22-10-8-21(16-25)9-11-22/h8-11,17,20H,2-7,12-15,18-19H2,1H3