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

Systemtic Name: 2-(4-chlorophenyl)-6-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-6-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-6-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-6-[4-(4-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-2-18-4-10-21(11-5-18)32(30,31)27-15-3-14-26(16-17-27)22-12-13-23(29)28(25-22)20-8-6-19(24)7-9-20/h4-13H,2-3,14-17H2,1H3