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

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(3-morpholinopropyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-(4-morpholinyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(3-morpholinopropyl)pyrazole-3-carboxamide Formula: C18H22BrClN4O3 MolecularWeight: 457.74928

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H22BrClN4O3/c19-14-2-3-17(15(20)12-14)27-13-24-7-4-16(22-24)18(25)21-5-1-6-23-8-10-26-11-9-23/h2-4,7,12H,1,5-6,8-11,13H2,(H,21,25)