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

Systemtic Name: 3-[1-[5-(4-propan-2-ylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(4-isopropylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[oxo-(4-propan-2-ylphenyl)methyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(4-propan-2-ylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-(5-cumoyl-1H-pyrrol-2-yl)ethyl]-1H-pyridazin-6-one Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c1-12(2)14-4-6-15(7-5-14)20(25)18-9-8-16(21-18)13(3)17-10-11-19(24)23-22-17/h4-13,21H,1-3H3,(H,23,24)