[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]methyl 6-phenothiazin-10-ylhexanoate

Systemtic Name: [4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]methyl 6-phenothiazin-10-ylhexanoate Openeye Name: [4-[2,6-bis(2-pyridyl)-4-pyridyl]phenyl]methyl 6-phenothiazin-10-ylhexanoate CAS Name: 6-(10-phenothiazinyl)hexanoic acid [4-[2,6-bis(2-pyridinyl)-4-pyridinyl]phenyl]methyl ester IUPAC Name: [4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]methyl 6-phenothiazin-10-ylhexanoate Traditional Name: 6-phenothiazin-10-ylhexanoic acid [4-[2,6-bis(2-pyridyl)-4-pyridyl]benzyl] ester Formula: C40H34N4O2S MolecularWeight: 634.78856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCCCC(=O)OCC4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCCCC(=O)OCC4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7

InChI

InChI=1S/C40H34N4O2S/c45-40(18-2-1-11-25-44-36-14-3-5-16-38(36)47-39-17-6-4-15-37(39)44)46-28-29-19-21-30(22-20-29)31-26-34(32-12-7-9-23-41-32)43-35(27-31)33-13-8-10-24-42-33/h3-10,12-17,19-24,26-27H,1-2,11,18,25,28H2