2-(4-chlorophenyl)-6-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-6-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-6-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-6-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-6-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O3S/c1-2-4-19-5-11-22(12-6-19)33(31,32)28-16-3-15-27(17-18-28)23-13-14-24(30)29(26-23)21-9-7-20(25)8-10-21/h5-14H,2-4,15-18H2,1H3