2-[10-hexyl-3,7-dimethoxy-6-[(3-oxidanylidene-1H-isoindol-2-yl)carbonyl]phenothiazin-4-yl]ethanenitrile

Systemtic Name: 2-[10-hexyl-3,7-dimethoxy-6-[(3-oxidanylidene-1H-isoindol-2-yl)carbonyl]phenothiazin-4-yl]ethanenitrile Openeye Name: 2-[10-hexyl-3,7-dimethoxy-6-(1-oxoisoindoline-2-carbonyl)phenothiazin-4-yl]acetonitrile CAS Name: 2-[10-hexyl-3,7-dimethoxy-6-[oxo-(3-oxo-1H-isoindol-2-yl)methyl]-4-phenothiazinyl]acetonitrile IUPAC Name: 2-[10-hexyl-3,7-dimethoxy-6-(3-oxo-1H-isoindole-2-carbonyl)phenothiazin-4-yl]acetonitrile Traditional Name: 2-[10-hexyl-6-(1-ketoisoindoline-2-carbonyl)-3,7-dimethoxy-phenothiazin-4-yl]acetonitrile Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=C(C=C2)OC)CC#N)SC3=C1C=CC(=C3C(=O)N4CC5=CC=CC=C5C4=O)OC

Isomeric SMILES

CCCCCCN1C2=C(C(=C(C=C2)OC)CC#N)SC3=C1C=CC(=C3C(=O)N4CC5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C31H31N3O4S/c1-4-5-6-9-18-33-23-12-14-25(37-2)22(16-17-32)28(23)39-29-24(33)13-15-26(38-3)27(29)31(36)34-19-20-10-7-8-11-21(20)30(34)35/h7-8,10-15H,4-6,9,16,18-19H2,1-3H3