1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenothiazin-10-yl-propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenothiazin-10-yl-propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenothiazin-10-yl-propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(10-phenothiazinyl)-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenothiazin-10-ylpropan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenothiazin-10-yl-propan-1-one Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53)OC

InChI

InChI=1S/C26H26N2O3S/c1-30-22-15-18-11-13-27(17-19(18)16-23(22)31-2)26(29)12-14-28-20-7-3-5-9-24(20)32-25-10-6-4-8-21(25)28/h3-10,15-16H,11-14,17H2,1-2H3