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

Systemtic Name: 4-oxidanylidene-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(4-piperidinosulfonylbenzyl)-3-propyl-phthalazine-1-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-2-14-28-24(30)21-9-5-4-8-20(21)22(26-28)23(29)25-17-18-10-12-19(13-11-18)33(31,32)27-15-6-3-7-16-27/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,25,29)