[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]methyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: [4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]methyl 3-phenothiazin-10-ylpropanoate Openeye Name: [4-[2,6-bis(2-pyridyl)-4-pyridyl]phenyl]methyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [4-[2,6-bis(2-pyridinyl)-4-pyridinyl]phenyl]methyl ester IUPAC Name: [4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]methyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [4-[2,6-bis(2-pyridyl)-4-pyridyl]benzyl] ester Formula: C37H28N4O2S MolecularWeight: 592.70882

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H28N4O2S/c42-37(19-22-41-33-11-1-3-13-35(33)44-36-14-4-2-12-34(36)41)43-25-26-15-17-27(18-16-26)28-23-31(29-9-5-7-20-38-29)40-32(24-28)30-10-6-8-21-39-30/h1-18,20-21,23-24H,19,22,25H2