1-[(4-bromophenyl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-isopropylphenyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-(4-isopropylbenzylidene)amino]pyrazole-3-carboxamide Formula: C21H21BrN4O MolecularWeight: 425.32164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O/c1-15(2)18-7-3-16(4-8-18)13-23-24-21(27)20-11-12-26(25-20)14-17-5-9-19(22)10-6-17/h3-13,15H,14H2,1-2H3,(H,24,27)/b23-13+