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

Systemtic Name: 2-phenyl-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 6-[4-(4-isopropylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 2-phenyl-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-phenyl-6-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 6-(4-p-cumenylsulfonyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c1-19(2)20-9-11-22(12-10-20)32(30,31)27-16-6-15-26(17-18-27)23-13-14-24(29)28(25-23)21-7-4-3-5-8-21/h3-5,7-14,19H,6,15-18H2,1-2H3