5-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-(3-oxidanylidenemorpholin-4-yl)-3,4-dihydropyrazole-2-carboximidamide

Systemtic Name: 5-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-(3-oxidanylidenemorpholin-4-yl)-3,4-dihydropyrazole-2-carboximidamide Openeye Name: 5-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-(3-oxomorpholin-4-yl)-3,4-dihydropyrazole-2-carboxamidine CAS Name: 5-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-(3-oxo-4-morpholinyl)-3,4-dihydropyrazole-2-carboximidamide IUPAC Name: 5-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-(3-oxomorpholin-4-yl)-3,4-dihydropyrazole-2-carboximidamide Traditional Name: 3-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-(3-ketomorpholino)-2-pyrazoline-1-carboxamidine Formula: C21H25ClN6O2 MolecularWeight: 428.9152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(NC#N)N2CC(C(=N2)C3=CC=C(C=C3)Cl)N4CCOCC4=O

Isomeric SMILES

C1CCC(CC1)N=C(NC#N)N2CC(C(=N2)C3=CC=C(C=C3)Cl)N4CCOCC4=O

InChI

InChI=1S/C21H25ClN6O2/c22-16-8-6-15(7-9-16)20-18(27-10-11-30-13-19(27)29)12-28(26-20)21(24-14-23)25-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-13H2,(H,24,25)