2-[10-hexyl-6-[(3-oxidanylidene-1H-isoindol-2-yl)carbonyl]phenothiazin-4-yl]ethanenitrile

Systemtic Name: 2-[10-hexyl-6-[(3-oxidanylidene-1H-isoindol-2-yl)carbonyl]phenothiazin-4-yl]ethanenitrile Openeye Name: 2-[10-hexyl-6-(1-oxoisoindoline-2-carbonyl)phenothiazin-4-yl]acetonitrile CAS Name: 2-[10-hexyl-6-[oxo-(3-oxo-1H-isoindol-2-yl)methyl]-4-phenothiazinyl]acetonitrile IUPAC Name: 2-[10-hexyl-6-(3-oxo-1H-isoindole-2-carbonyl)phenothiazin-4-yl]acetonitrile Traditional Name: 2-[10-hexyl-6-(1-ketoisoindoline-2-carbonyl)phenothiazin-4-yl]acetonitrile Formula: C29H27N3O2S MolecularWeight: 481.60858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC(=C2SC3=C(C=CC=C31)C(=O)N4CC5=CC=CC=C5C4=O)CC#N

Isomeric SMILES

CCCCCCN1C2=CC=CC(=C2SC3=C(C=CC=C31)C(=O)N4CC5=CC=CC=C5C4=O)CC#N

InChI

InChI=1S/C29H27N3O2S/c1-2-3-4-7-18-31-24-14-8-11-20(16-17-30)26(24)35-27-23(13-9-15-25(27)31)29(34)32-19-21-10-5-6-12-22(21)28(32)33/h5-6,8-15H,2-4,7,16,18-19H2,1H3