4-butyl-N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-[6-oxo-3-(2-thienyl)pyridazin-1-yl]ethyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-[6-keto-3-(2-thienyl)pyridazin-1-yl]ethyl]cyclohexanecarboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NCCN2C(=O)C=CC(=N2)C3=CC=CS3

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NCCN2C(=O)C=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C21H29N3O2S/c1-2-3-5-16-7-9-17(10-8-16)21(26)22-13-14-24-20(25)12-11-18(23-24)19-6-4-15-27-19/h4,6,11-12,15-17H,2-3,5,7-10,13-14H2,1H3,(H,22,26)