2-(2-methylpyridin-3-yl)-2-[4-(3-oxidanyl-3,3-diphenyl-propanoyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-(3-oxidanyl-3,3-diphenyl-propanoyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3-hydroxy-3,3-diphenyl-propanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-(3-hydroxy-1-oxo-3,3-diphenylpropyl)-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-(3-hydroxy-3,3-diphenyl-propanoyl)piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H28N4O2/c1-21-24(13-8-14-29-21)25(20-28)30-15-17-31(18-16-30)26(32)19-27(33,22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,25,33H,15-19H2,1H3