2-phenyl-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-phenyl-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-phenyl-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-phenyl-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-phenyl-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-phenyl-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O3S/c1-18-16-20(3)22(17-19(18)2)32(30,31)27-13-7-12-26(14-15-27)23-10-11-24(29)28(25-23)21-8-5-4-6-9-21/h4-6,8-11,16-17H,7,12-15H2,1-3H3