N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(2-morpholinosulfonylphenyl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(2-morpholinosulfonylbenzyl)phthalazine-1-carboxamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H30N4O5S/c1-2-3-8-13-29-25(31)21-11-6-5-10-20(21)23(27-29)24(30)26-18-19-9-4-7-12-22(19)35(32,33)28-14-16-34-17-15-28/h4-7,9-12H,2-3,8,13-18H2,1H3,(H,26,30)