2-(3,4-dimethylphenyl)-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(3,4-dimethylphenyl)-6-[4-(4-isopropylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(3,4-dimethylphenyl)-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(3,4-dimethylphenyl)-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(3,4-dimethylphenyl)-6-(4-p-cumenylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C26H32N4O3S/c1-19(2)22-7-10-24(11-8-22)34(32,33)29-15-5-14-28(16-17-29)25-12-13-26(31)30(27-25)23-9-6-20(3)21(4)18-23/h6-13,18-19H,5,14-17H2,1-4H3