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

Systemtic Name: 4-[[5-[(4-nonanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[(4-nonanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(1-oxononyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[(4-nonanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(4-pelargonylpiperazino)methyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H35N5O MolecularWeight: 421.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O/c1-2-3-4-5-6-7-8-25(31)29-15-13-28(14-16-29)20-24-18-27-21-30(24)19-23-11-9-22(17-26)10-12-23/h9-12,18,21H,2-8,13-16,19-20H2,1H3