4-[[5-[[4-(5-pent-1-ynylnaphthalen-1-yl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(5-pent-1-ynylnaphthalen-1-yl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(5-pent-1-ynylnaphthalene-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[oxo-(5-pent-1-ynyl-1-naphthalenyl)methyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(5-pent-1-ynylnaphthalene-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(5-pent-1-ynyl-1-naphthoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C32H31N5O MolecularWeight: 501.62144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C2C=CC=C(C2=CC=C1)C(=O)N3CCN(CC3)CC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

CCCC#CC1=C2C=CC=C(C2=CC=C1)C(=O)N3CCN(CC3)CC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H31N5O/c1-2-3-4-7-27-8-5-10-30-29(27)9-6-11-31(30)32(38)36-18-16-35(17-19-36)23-28-21-34-24-37(28)22-26-14-12-25(20-33)13-15-26/h5-6,8-15,21,24H,2-3,16-19,22-23H2,1H3