2-[8-[4-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-piperazin-1-yl]naphthalen-2-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[8-[4-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-piperazin-1-yl]naphthalen-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[[8-[4-(1H-imidazol-5-ylmethyl)-2-oxo-piperazin-1-yl]-2-naphthyl]oxy]benzonitrile CAS Name: 2-[[8-[4-(1H-imidazol-5-ylmethyl)-2-oxo-1-piperazinyl]-2-naphthalenyl]oxy]benzonitrile IUPAC Name: 2-[8-[4-(1H-imidazol-5-ylmethyl)-2-oxopiperazin-1-yl]naphthalen-2-yl]oxybenzonitrile Traditional Name: 2-[8-[4-(1H-imidazol-5-ylmethyl)-2-keto-piperazino]-2-naphthoxy]benzonitrile Formula: C25H21N5O2 MolecularWeight: 423.46654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=CN=CN2)C3=CC=CC4=C3C=C(C=C4)OC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(C(=O)CN1CC2=CN=CN2)C3=CC=CC4=C3C=C(C=C4)OC5=CC=CC=C5C#N

InChI

InChI=1S/C25H21N5O2/c26-13-19-4-1-2-7-24(19)32-21-9-8-18-5-3-6-23(22(18)12-21)30-11-10-29(16-25(30)31)15-20-14-27-17-28-20/h1-9,12,14,17H,10-11,15-16H2,(H,27,28)