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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H30N4O5S/c1-17(2)16-29-25(31)20-10-6-5-9-19(20)23(27-29)24(30)26-18-11-12-21(34-3)22(15-18)35(32,33)28-13-7-4-8-14-28/h5-6,9-12,15,17H,4,7-8,13-14,16H2,1-3H3,(H,26,30)