3-[1-[5-(2,4-dimethylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one

Systemtic Name: 3-[1-[5-(2,4-dimethylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(2,4-dimethylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[(2,4-dimethylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(2,4-dimethylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-[5-(2,4-dimethylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Formula: C19H19N3O2 MolecularWeight: 321.37306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=NNC(=O)C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=NNC(=O)C=C3)C

InChI

InChI=1S/C19H19N3O2/c1-11-4-5-14(12(2)10-11)19(24)17-7-6-15(20-17)13(3)16-8-9-18(23)22-21-16/h4-10,13,20H,1-3H3,(H,22,23)