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

Systemtic Name: 3-hexyl-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide CAS Name: 3-hexyl-4-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(3-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(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

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