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

Systemtic Name: 6-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(4-isobutylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-(4-isobutylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S/c1-20(2)19-21-9-11-23(12-10-21)33(31,32)28-16-6-15-27(17-18-28)24-13-14-25(30)29(26-24)22-7-4-3-5-8-22/h3-5,7-14,20H,6,15-19H2,1-2H3