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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(4-pyrrolidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O4S/c31-25(27-20-12-14-21(15-13-20)35(33,34)29-16-6-7-17-29)24-22-10-4-5-11-23(22)26(32)30(28-24)18-19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,27,31)