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

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5S/c1-3-14-29-25(31)20-11-7-6-10-19(20)23(27-29)24(30)26-21-17-18(12-13-22(21)34-4-2)35(32,33)28-15-8-5-9-16-28/h6-7,10-13,17H,3-5,8-9,14-16H2,1-2H3,(H,26,30)