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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H30N4O5S/c1-17(2)29-25(31)20-11-7-6-10-19(20)23(27-29)24(30)26-21-16-18(12-13-22(21)34-3)35(32,33)28-14-8-4-5-9-15-28/h6-7,10-13,16-17H,4-5,8-9,14-15H2,1-3H3,(H,26,30)