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

Systemtic Name: 3-[1-[5-(4-ethylphenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(4-ethylbenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[(4-ethylphenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(4-ethylbenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-[5-(4-ethylbenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=C(C=C(N2)C(C)C3=NNC(=O)C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=C(C=C(N2)C(C)C3=NNC(=O)C=C3)C

InChI

InChI=1S/C20H21N3O2/c1-4-14-5-7-15(8-6-14)20(25)19-12(2)11-17(21-19)13(3)16-9-10-18(24)23-22-16/h5-11,13,21H,4H2,1-3H3,(H,23,24)