2-[9-(pyridin-4-ylmethyl)fluoren-9-yl]ethanenitrile hydrate

Systemtic Name: 2-[9-(pyridin-4-ylmethyl)fluoren-9-yl]ethanenitrile hydrate Openeye Name: 2-[9-(4-pyridylmethyl)fluoren-9-yl]acetonitrile hydrate CAS Name: 2-[9-(pyridin-4-ylmethyl)-9-fluorenyl]acetonitrile hydrate IUPAC Name: 2-[9-(pyridin-4-ylmethyl)fluoren-9-yl]acetonitrile hydrate Traditional Name: 2-[9-(4-pyridylmethyl)fluoren-9-yl]acetonitrile hydrate Formula: C21H18N2O MolecularWeight: 314.38042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3C2(CC#N)CC4=CC=NC=C4.O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C2(CC#N)CC4=CC=NC=C4.O

InChI

InChI=1S/C21H16N2.H2O/c22-12-11-21(15-16-9-13-23-14-10-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;/h1-10,13-14H,11,15H2;1H2