4-butan-2-yl-3-(2-ethyl-4-pyridin-4-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 4-butan-2-yl-3-(2-ethyl-4-pyridin-4-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[2-ethyl-4-(4-pyridyl)phenyl]-4-sec-butyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 4-butan-2-yl-3-(2-ethyl-4-pyridin-4-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 4-butan-2-yl-3-(2-ethyl-4-pyridin-4-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[2-ethyl-4-(4-pyridyl)phenyl]-4-sec-butyl-4,5-dihydro-1H-pyridazin-6-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC=NC=C2)C3=NNC(=O)CC3C(C)CC

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC=NC=C2)C3=NNC(=O)CC3C(C)CC

InChI

InChI=1S/C21H25N3O/c1-4-14(3)19-13-20(25)23-24-21(19)18-7-6-17(12-15(18)5-2)16-8-10-22-11-9-16/h6-12,14,19H,4-5,13H2,1-3H3,(H,23,25)