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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O4S/c1-17(2)29-25(31)21-11-7-6-10-20(21)23(27-29)24(30)26-19-13-12-18(3)22(16-19)34(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)