N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-keto-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)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-2-14-28-24(30)21-13-6-5-12-20(21)22(26-28)23(29)25-18-10-9-11-19(17-18)33(31,32)27-15-7-3-4-8-16-27/h5-6,9-13,17H,2-4,7-8,14-16H2,1H3,(H,25,29)