N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylpiperidin-3-yl]propanamide

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylpiperidin-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)-3-piperidyl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]-3-piperidinyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-(6-keto-1-methyl-pyridazine-3-carbonyl)-3-piperidyl]propionamide Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCCN(C2)C(=O)C3=NN(C(=O)C=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCCN(C2)C(=O)C3=NN(C(=O)C=C3)C

InChI

InChI=1S/C21H25FN4O3/c1-14-12-16(22)6-7-17(14)23-19(27)9-5-15-4-3-11-26(13-15)21(29)18-8-10-20(28)25(2)24-18/h6-8,10,12,15H,3-5,9,11,13H2,1-2H3,(H,23,27)/t15-/m1/s1