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

Systemtic Name: 3-[1-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-(1-methyl-5-p-toluoyl-pyrrol-2-yl)ethyl]-1H-pyridazin-6-one Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)C(C)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)C(C)C3=NNC(=O)C=C3

InChI

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