3-[4-[1-(2-hydroxyethyl)-4-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[1-(2-hydroxyethyl)-4-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[1-(2-hydroxyethyl)-4-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 3-[4-[[1-(2-hydroxyethyl)-4-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-[1-(2-hydroxyethyl)-4-phenylpyrrole-3-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 3-[4-[1-(2-hydroxyethyl)-4-phenyl-pyrrole-3-carbonyl]piperazino]benzonitrile Formula: C24H24N4O2 MolecularWeight: 400.47296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=CN(C=C3C4=CC=CC=C4)CCO

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=CN(C=C3C4=CC=CC=C4)CCO

InChI

InChI=1S/C24H24N4O2/c25-16-19-5-4-8-21(15-19)27-9-11-28(12-10-27)24(30)23-18-26(13-14-29)17-22(23)20-6-2-1-3-7-20/h1-8,15,17-18,29H,9-14H2