N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylphenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4C[C@@H](C[C@H](C4)C)C

InChI

InChI=1S/C25H30N4O4S/c1-4-13-29-25(31)22-8-6-5-7-21(22)23(27-29)24(30)26-19-9-11-20(12-10-19)34(32,33)28-15-17(2)14-18(3)16-28/h5-12,17-18H,4,13-16H2,1-3H3,(H,26,30)/t17-,18-/m1/s1