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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-3-13-4-6-14(7-5-13)19(24)17-9-8-15(20-17)12(2)16-10-11-18(23)22-21-16/h4-12,20H,3H2,1-2H3,(H,22,23)