5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-yl-3-oxidanylidene-propyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-yl-3-oxidanylidene-propyl)pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-N-(3-morpholino-3-oxo-propyl)-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[3-(4-morpholinyl)-3-oxopropyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-morpholin-4-yl-3-oxopropyl)pyrazole-4-carboxamide Traditional Name: 5-chloro-N-(3-keto-3-morpholino-propyl)-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCC(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCC(=O)N3CCOCC3)Cl

InChI

InChI=1S/C20H25ClN4O3/c1-14-3-5-16(6-4-14)13-25-19(21)18(15(2)23-25)20(27)22-8-7-17(26)24-9-11-28-12-10-24/h3-6H,7-13H2,1-2H3,(H,22,27)