N5-(4-bromanyl-3-methyl-phenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-(4-bromanyl-3-methyl-phenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-(4-bromo-3-methyl-phenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-(4-bromo-3-methylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-(4-bromo-3-methylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3)Br

InChI

InChI=1S/C18H17BrN4O2/c1-11-9-12(7-8-14(11)19)21-18(25)15-10-16(17(20)24)23(22-15)13-5-3-2-4-6-13/h2-9,16H,10H2,1H3,(H2,20,24)(H,21,25)