4-[[5-[[4-(3-ethylpentanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(3-ethylpentanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(3-ethylpentanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(3-ethyl-1-oxopentyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(3-ethylpentanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(3-ethylpentanoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O/c1-3-19(4-2)13-23(29)27-11-9-26(10-12-27)17-22-15-25-18-28(22)16-21-7-5-20(14-24)6-8-21/h5-8,15,18-19H,3-4,9-13,16-17H2,1-2H3