4-oxidanylidene-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)phenyl]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)phenyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-piperidino-5-piperidinosulfonyl-phenyl)-3-propyl-phthalazine-1-carboxamide Formula: C28H35N5O4S MolecularWeight: 537.6736

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCCC5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCCC5

InChI

InChI=1S/C28H35N5O4S/c1-2-15-33-28(35)23-12-6-5-11-22(23)26(30-33)27(34)29-24-20-21(38(36,37)32-18-9-4-10-19-32)13-14-25(24)31-16-7-3-8-17-31/h5-6,11-14,20H,2-4,7-10,15-19H2,1H3,(H,29,34)