1-(4-tert-butylphenyl)-3-[2-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)ethyl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)ethyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[2-[6-oxo-3-(3-pyridyl)pyridazin-1-yl]ethyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[2-[6-oxo-3-(3-pyridinyl)-1-pyridazinyl]ethyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[2-[6-keto-3-(3-pyridyl)pyridazin-1-yl]ethyl]urea Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCN2C(=O)C=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCN2C(=O)C=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C22H25N5O2/c1-22(2,3)17-6-8-18(9-7-17)25-21(29)24-13-14-27-20(28)11-10-19(26-27)16-5-4-12-23-15-16/h4-12,15H,13-14H2,1-3H3,(H2,24,25,29)