[4-methyl-3-(1-morpholin-4-ylphthalazin-6-yl)phenyl]carbonyl 4-methyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzoate

Systemtic Name: [4-methyl-3-(1-morpholin-4-ylphthalazin-6-yl)phenyl]carbonyl 4-methyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzoate Openeye Name: [4-methyl-3-(1-morpholinophthalazin-6-yl)benzoyl] 4-methyl-3-(1-morpholinophthalazin-6-yl)benzoate CAS Name: 4-methyl-3-[1-(4-morpholinyl)-6-phthalazinyl]benzoic acid [[4-methyl-3-[1-(4-morpholinyl)-6-phthalazinyl]phenyl]-oxomethyl] ester IUPAC Name: [4-methyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzoyl] 4-methyl-3-(1-morpholin-4-ylphthalazin-6-yl)benzoate Traditional Name: 4-methyl-3-(1-morpholinophthalazin-6-yl)benzoic acid [4-methyl-3-(1-morpholinophthalazin-6-yl)benzoyl] ester Formula: C40H36N6O5 MolecularWeight: 680.75104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(=O)C2=CC(=C(C=C2)C)C3=CC4=CN=NC(=C4C=C3)N5CCOCC5)C6=CC7=CN=NC(=C7C=C6)N8CCOCC8

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(=O)C2=CC(=C(C=C2)C)C3=CC4=CN=NC(=C4C=C3)N5CCOCC5)C6=CC7=CN=NC(=C7C=C6)N8CCOCC8

InChI

InChI=1S/C40H36N6O5/c1-25-3-5-29(21-35(25)27-7-9-33-31(19-27)23-41-43-37(33)45-11-15-49-16-12-45)39(47)51-40(48)30-6-4-26(2)36(22-30)28-8-10-34-32(20-28)24-42-44-38(34)46-13-17-50-18-14-46/h3-10,19-24H,11-18H2,1-2H3