N-[(E)-1-(4-morpholin-4-ylsulfonylphenyl)ethylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-morpholin-4-ylsulfonylphenyl)ethylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[(E)-1-(4-morpholinosulfonylphenyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-[4-(4-morpholinylsulfonyl)phenyl]ethylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(4-morpholin-4-ylsulfonylphenyl)ethylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[(E)-1-(4-morpholinosulfonylphenyl)ethylideneamino]phthalazine-1-carboxamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H27N5O5S/c1-16(2)29-24(31)21-7-5-4-6-20(21)22(27-29)23(30)26-25-17(3)18-8-10-19(11-9-18)35(32,33)28-12-14-34-15-13-28/h4-11,16H,12-15H2,1-3H3,(H,26,30)/b25-17+