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

Systemtic Name: 3-[1-[5-(2-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[(2-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-(5-o-toluoyl-1H-pyrrol-2-yl)ethyl]-1H-pyridazin-6-one Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CC=C(N2)C(C)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC=C(N2)C(C)C3=NNC(=O)C=C3

InChI

InChI=1S/C18H17N3O2/c1-11-5-3-4-6-13(11)18(23)16-8-7-14(19-16)12(2)15-9-10-17(22)21-20-15/h3-10,12,19H,1-2H3,(H,21,22)