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

Systemtic Name: 3-hexyl-4-oxidanylidene-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide CAS Name: 3-hexyl-4-oxo-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(4-pyrrolidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H30N4O4S/c1-2-3-4-7-18-29-25(31)22-11-6-5-10-21(22)23(27-29)24(30)26-19-12-14-20(15-13-19)34(32,33)28-16-8-9-17-28/h5-6,10-15H,2-4,7-9,16-18H2,1H3,(H,26,30)