1-(3,4-dimethylphenyl)-5-(furan-2-ylcarbonylamino)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)-5-(furan-2-ylcarbonylamino)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-5-[[2-furanyl(oxo)methyl]amino]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-5-(2-furoylamino)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C23H28N5O4+ MolecularWeight: 438.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC[NH+]3CCOCC3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC[NH+]3CCOCC3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C23H27N5O4/c1-16-5-6-18(14-17(16)2)28-21(26-23(30)20-4-3-11-32-20)19(15-25-28)22(29)24-7-8-27-9-12-31-13-10-27/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,24,29)(H,26,30)/p+1