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

Systemtic Name: 2-[3,7-dimethoxy-6-[(3-oxidanylidene-1H-isoindol-2-yl)carbonyl]-10-(phenylmethyl)phenothiazin-4-yl]ethanenitrile Openeye Name: 2-[10-benzyl-3,7-dimethoxy-6-(1-oxoisoindoline-2-carbonyl)phenothiazin-4-yl]acetonitrile CAS Name: 2-[3,7-dimethoxy-6-[oxo-(3-oxo-1H-isoindol-2-yl)methyl]-10-(phenylmethyl)-4-phenothiazinyl]acetonitrile IUPAC Name: 2-[10-benzyl-3,7-dimethoxy-6-(3-oxo-1H-isoindole-2-carbonyl)phenothiazin-4-yl]acetonitrile Traditional Name: 2-[10-benzyl-6-(1-ketoisoindoline-2-carbonyl)-3,7-dimethoxy-phenothiazin-4-yl]acetonitrile Formula: C32H25N3O4S MolecularWeight: 547.6236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N(C3=C(S2)C(=C(C=C3)OC)C(=O)N4CC5=CC=CC=C5C4=O)CC6=CC=CC=C6)CC#N

Isomeric SMILES

COC1=C(C2=C(C=C1)N(C3=C(S2)C(=C(C=C3)OC)C(=O)N4CC5=CC=CC=C5C4=O)CC6=CC=CC=C6)CC#N

InChI

InChI=1S/C32H25N3O4S/c1-38-26-14-12-24-29(23(26)16-17-33)40-30-25(34(24)18-20-8-4-3-5-9-20)13-15-27(39-2)28(30)32(37)35-19-21-10-6-7-11-22(21)31(35)36/h3-15H,16,18-19H2,1-2H3