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

Systemtic Name: 4-[[5-[(4-heptanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[(4-heptanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(1-oxoheptyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[(4-heptanoylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(4-enanthylpiperazino)methyl]imidazol-1-yl]methyl]benzonitrile Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O/c1-2-3-4-5-6-23(29)27-13-11-26(12-14-27)18-22-16-25-19-28(22)17-21-9-7-20(15-24)8-10-21/h7-10,16,19H,2-6,11-14,17-18H2,1H3