3-(2-methylpropyl)-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(3-pyrrolidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H26N4O4S/c1-16(2)15-27-23(29)20-11-4-3-10-19(20)21(25-27)22(28)24-17-8-7-9-18(14-17)32(30,31)26-12-5-6-13-26/h3-4,7-11,14,16H,5-6,12-13,15H2,1-2H3,(H,24,28)