4-[[5-[[(2S)-2-butyl-4-(cyclopropylmethyl)-5-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[(2S)-2-butyl-4-(cyclopropylmethyl)-5-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[(2S)-2-butyl-4-(cyclopropylmethyl)-5-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[(2S)-2-butyl-4-(cyclopropylmethyl)-5-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[(2S)-2-butyl-4-(cyclopropylmethyl)-5-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[(2S)-2-butyl-4-(cyclopropylmethyl)-5-keto-piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C24H31N5O MolecularWeight: 405.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4CC4

Isomeric SMILES

CCCC[C@H]1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4CC4

InChI

InChI=1S/C24H31N5O/c1-2-3-4-22-15-28(13-20-9-10-20)24(30)17-27(22)16-23-12-26-18-29(23)14-21-7-5-19(11-25)6-8-21/h5-8,12,18,20,22H,2-4,9-10,13-17H2,1H3/t22-/m0/s1