4-[[5-[[4-(2-methoxy-6-pentyl-phenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(2-methoxy-6-pentyl-phenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(2-methoxy-6-pentyl-benzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[(2-methoxy-6-pentylphenyl)-oxomethyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(2-methoxy-6-pentylbenzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(2-amyl-6-methoxy-benzoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C29H35N5O2 MolecularWeight: 485.6205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H35N5O2/c1-3-4-5-7-25-8-6-9-27(36-2)28(25)29(35)33-16-14-32(15-17-33)21-26-19-31-22-34(26)20-24-12-10-23(18-30)11-13-24/h6,8-13,19,22H,3-5,7,14-17,20-21H2,1-2H3