3-butyl-4-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[3-(1-piperidylsulfonyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(3-piperidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-2-3-16-28-24(30)21-13-6-5-12-20(21)22(26-28)23(29)25-18-10-9-11-19(17-18)33(31,32)27-14-7-4-8-15-27/h5-6,9-13,17H,2-4,7-8,14-16H2,1H3,(H,25,29)