4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one

Systemtic Name: 4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 4-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one CAS Name: 4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-one Formula: C31H33N5O5S MolecularWeight: 587.68922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C31H33N5O5S/c1-23-11-12-24(21-28(23)42(39,40)35-17-19-41-20-18-35)30-26-9-5-6-10-27(26)31(38)36(32-30)22-29(37)34-15-13-33(14-16-34)25-7-3-2-4-8-25/h2-12,21H,13-20,22H2,1H3