2-[2-[3-oxidanylidene-3-[(2R)-2-(phenylmethyl)piperazin-1-yl]propyl]phenoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[3-oxidanylidene-3-[(2R)-2-(phenylmethyl)piperazin-1-yl]propyl]phenoxy]benzenecarbonitrile Openeye Name: 2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxo-propyl]phenoxy]benzonitrile CAS Name: 2-[2-[3-oxo-3-[(2R)-2-(phenylmethyl)-1-piperazinyl]propyl]phenoxy]benzonitrile IUPAC Name: 2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]benzonitrile Traditional Name: 2-[2-[3-[(2R)-2-benzylpiperazino]-3-keto-propyl]phenoxy]benzonitrile Formula: C27H27N3O2 MolecularWeight: 425.52218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3OC4=CC=CC=C4C#N

Isomeric SMILES

C1CN([C@@H](CN1)CC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3OC4=CC=CC=C4C#N

InChI

InChI=1S/C27H27N3O2/c28-19-23-11-5-7-13-26(23)32-25-12-6-4-10-22(25)14-15-27(31)30-17-16-29-20-24(30)18-21-8-2-1-3-9-21/h1-13,24,29H,14-18,20H2/t24-/m1/s1