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

Systemtic Name: 3-butyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-4-keto-phthalazine-1-carboxamide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C26H32N4O4S/c1-4-5-14-30-26(32)23-9-7-6-8-22(23)24(28-30)25(31)27-20-10-12-21(13-11-20)35(33,34)29-16-18(2)15-19(3)17-29/h6-13,18-19H,4-5,14-17H2,1-3H3,(H,27,31)