5-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-[(4-methylphenyl)methyl]-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: 5-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-[(4-methylphenyl)methyl]-1,2-dihydropyrazole-3-carboxamide Openeye Name: 5-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-N-(p-tolylmethyl)-1,2-dihydropyrazole-3-carboxamide CAS Name: 5-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[(4-methylphenyl)methyl]-1,2-dihydropyrazole-3-carboxamide IUPAC Name: 5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[(4-methylphenyl)methyl]-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-N-(4-methylbenzyl)-3-pyrazoline-3-carboxamide Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C3C=C(C=CC3=O)Cl)NN2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C3C=C(C=CC3=O)Cl)NN2

InChI

InChI=1S/C18H16ClN3O2/c1-11-2-4-12(5-3-11)10-20-18(24)16-9-15(21-22-16)14-8-13(19)6-7-17(14)23/h2-9,21-22H,10H2,1H3,(H,20,24)