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

Systemtic Name: 2-[2-[2-[(2R)-2-(phenylmethyl)piperazin-1-yl]carbonylthiophen-3-yl]phenoxy]benzenecarbonitrile Openeye Name: 2-[2-[2-[(2R)-2-benzylpiperazine-1-carbonyl]-3-thienyl]phenoxy]benzonitrile CAS Name: 2-[2-[2-[oxo-[(2R)-2-(phenylmethyl)-1-piperazinyl]methyl]-3-thiophenyl]phenoxy]benzonitrile IUPAC Name: 2-[2-[2-[(2R)-2-benzylpiperazine-1-carbonyl]thiophen-3-yl]phenoxy]benzonitrile Traditional Name: 2-[2-[2-[(2R)-2-benzylpiperazine-1-carbonyl]-3-thienyl]phenoxy]benzonitrile Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC2=CC=CC=C2)C(=O)C3=C(C=CS3)C4=CC=CC=C4OC5=CC=CC=C5C#N

Isomeric SMILES

C1CN([C@@H](CN1)CC2=CC=CC=C2)C(=O)C3=C(C=CS3)C4=CC=CC=C4OC5=CC=CC=C5C#N

InChI

InChI=1S/C29H25N3O2S/c30-19-22-10-4-6-12-26(22)34-27-13-7-5-11-24(27)25-14-17-35-28(25)29(33)32-16-15-31-20-23(32)18-21-8-2-1-3-9-21/h1-14,17,23,31H,15-16,18,20H2/t23-/m1/s1