3-hexyl-N-(3-morpholin-4-ylsulfonylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-N-(3-morpholin-4-ylsulfonylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-(3-morpholinosulfonylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-hexyl-N-[3-(4-morpholinylsulfonyl)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-(3-morpholin-4-ylsulfonylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(3-morpholinosulfonylphenyl)phthalazine-1-carboxamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H30N4O5S/c1-2-3-4-7-13-29-25(31)22-12-6-5-11-21(22)23(27-29)24(30)26-19-9-8-10-20(18-19)35(32,33)28-14-16-34-17-15-28/h5-6,8-12,18H,2-4,7,13-17H2,1H3,(H,26,30)