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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C23H26N4O5S/c1-26-23(29)18-10-6-5-9-17(18)21(25-26)22(28)24-19-15-16(11-12-20(19)32-2)33(30,31)27-13-7-3-4-8-14-27/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,24,28)