1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[4-(diethylamino)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide Formula: C21H22BrClN4O2 MolecularWeight: 477.78198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C21H22BrClN4O2/c1-3-26(4-2)17-8-6-16(7-9-17)24-21(28)19-11-12-27(25-19)14-29-20-10-5-15(23)13-18(20)22/h5-13H,3-4,14H2,1-2H3,(H,24,28)