3-butyl-4-oxidanylidene-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(4-piperidinosulfonylbenzyl)phthalazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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