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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-3-14-29-25(31)21-11-7-6-10-20(21)23(27-29)24(30)26-19-13-12-18(2)22(17-19)34(32,33)28-15-8-4-5-9-16-28/h6-7,10-13,17H,3-5,8-9,14-16H2,1-2H3,(H,26,30)