3-butyl-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC

InChI

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