4-[[5-[(2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[2-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[2-butyl-4-(1-naphthoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C31H33N5O MolecularWeight: 491.62662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCC1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H33N5O/c1-2-3-9-27-21-35(31(37)30-11-6-8-26-7-4-5-10-29(26)30)17-16-34(27)22-28-19-33-23-36(28)20-25-14-12-24(18-32)13-15-25/h4-8,10-15,19,23,27H,2-3,9,16-17,20-22H2,1H3