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

Systemtic Name: 3-[1-[5-(4-propoxyphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(4-propoxybenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[oxo-(4-propoxyphenyl)methyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(4-propoxybenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-[5-(4-propoxybenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=NNC(=O)C=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=NNC(=O)C=C3

InChI

InChI=1S/C20H21N3O3/c1-3-12-26-15-6-4-14(5-7-15)20(25)18-9-8-16(21-18)13(2)17-10-11-19(24)23-22-17/h4-11,13,21H,3,12H2,1-2H3,(H,23,24)