4-[2-[4-(2-ethyl-2-methyl-butanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(2-ethyl-2-methyl-butanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(2-ethyl-2-methyl-butanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[4-(2-ethyl-2-methyl-1-oxobutyl)-1-piperazinyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[4-(2-ethyl-2-methylbutanoyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[4-(2-ethyl-2-methyl-butanoyl)piperazino]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

Isomeric SMILES

CCC(C)(CC)C(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

InChI

InChI=1S/C23H31N5O/c1-4-23(3,5-2)22(29)28-12-10-27(11-13-28)21(20-16-25-17-26-20)14-18-6-8-19(15-24)9-7-18/h6-9,16-17,21H,4-5,10-14H2,1-3H3,(H,25,26)