N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H28N4O5S/c1-3-28-24(30)19-11-7-6-10-18(19)22(26-28)23(29)25-20-16-17(12-13-21(20)33-2)34(31,32)27-14-8-4-5-9-15-27/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,25,29)