1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-6-methyl-pyridazin-4-one

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-6-methyl-pyridazin-4-one Openeye Name: 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]-6-methyl-pyridazin-4-one CAS Name: 1-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-6-methyl-4-pyridazinone IUPAC Name: 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]-6-methylpyridazin-4-one Traditional Name: 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]-6-methyl-pyridazin-4-one Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26ClN3O3/c1-17-16-23(30)24(27-29(17)20-11-9-19(26)10-12-20)25(31)28-15-5-3-4-6-22(28)18-7-13-21(32-2)14-8-18/h7-14,16,22H,3-6,15H2,1-2H3