4-[9-(pyridin-4-ylmethyl)fluoren-9-yl]butanenitrile hydrate hydrochloride

Systemtic Name: 4-[9-(pyridin-4-ylmethyl)fluoren-9-yl]butanenitrile hydrate hydrochloride Openeye Name: 4-[9-(4-pyridylmethyl)fluoren-9-yl]butanenitrile hydrate hydrochloride CAS Name: 4-[9-(pyridin-4-ylmethyl)-9-fluorenyl]butanenitrile hydrate hydrochloride IUPAC Name: 4-[9-(pyridin-4-ylmethyl)fluoren-9-yl]butanenitrile hydrate hydrochloride Traditional Name: 4-[9-(4-pyridylmethyl)fluoren-9-yl]butyronitrile hydrate hydrochloride Formula: C23H23ClN2O MolecularWeight: 378.89452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2.ClH.H2O/c24-14-6-5-13-23(17-18-11-15-25-16-12-18)21-9-3-1-7-19(21)20-8-2-4-10-22(20)23;;/h1-4,7-12,15-16H,5-6,13,17H2;1H;1H2