1-butyl-5-chloranyl-3-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 1-butyl-5-chloranyl-3-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-3-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-3-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-3-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-3-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide Formula: C18H21ClN6O MolecularWeight: 372.85194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NCC2=NN=CN2C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NCC2=NN=CN2C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN6O/c1-3-4-10-25-17(19)16(13(2)23-25)18(26)20-11-15-22-21-12-24(15)14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,26)