4-methoxy-6-methyl-5-(3-phenothiazin-10-ylprop-1-ynyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Systemtic Name: 4-methoxy-6-methyl-5-(3-phenothiazin-10-ylprop-1-ynyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline Openeye Name: 4-methoxy-6-methyl-5-(3-phenothiazin-10-ylprop-1-ynyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline CAS Name: 4-methoxy-6-methyl-5-[3-(10-phenothiazinyl)prop-1-ynyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline IUPAC Name: 4-methoxy-6-methyl-5-(3-phenothiazin-10-ylprop-1-ynyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline Traditional Name: 4-methoxy-6-methyl-5-(3-phenothiazin-10-ylprop-1-ynyl)-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinoline Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC3=C(C(=C2C1C#CCN4C5=CC=CC=C5SC6=CC=CC=C64)OC)OCO3

Isomeric SMILES

CN1CCC2=CC3=C(C(=C2C1C#CCN4C5=CC=CC=C5SC6=CC=CC=C64)OC)OCO3

InChI

InChI=1S/C27H24N2O3S/c1-28-15-13-18-16-22-26(32-17-31-22)27(30-2)25(18)21(28)10-7-14-29-19-8-3-5-11-23(19)33-24-12-6-4-9-20(24)29/h3-6,8-9,11-12,16,21H,13-15,17H2,1-2H3