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

Systemtic Name: 3-butyl-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(3-pyrrolidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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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)N4CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H26N4O4S/c1-2-3-15-27-23(29)20-12-5-4-11-19(20)21(25-27)22(28)24-17-9-8-10-18(16-17)32(30,31)26-13-6-7-14-26/h4-5,8-12,16H,2-3,6-7,13-15H2,1H3,(H,24,28)