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

Systemtic Name: 4-[[5-[[4-(5-methoxy-2-pent-1-ynyl-phenyl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(5-methoxy-2-pent-1-ynyl-benzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[(5-methoxy-2-pent-1-ynylphenyl)-oxomethyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(5-methoxy-2-pent-1-ynylbenzoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(5-methoxy-2-pent-1-ynyl-benzoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C=C(C=C1)OC)C(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCC#CC1=C(C=C(C=C1)OC)C(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H31N5O2/c1-3-4-5-6-25-11-12-27(36-2)17-28(25)29(35)33-15-13-32(14-16-33)21-26-19-31-22-34(26)20-24-9-7-23(18-30)8-10-24/h7-12,17,19,22H,3-4,13-16,20-21H2,1-2H3