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

Systemtic Name: 1-butyl-5-chloranyl-3-methyl-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-3-methyl-N-[4-(1-tetrazolyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide Formula: C16H18ClN7O MolecularWeight: 359.81342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC=C(C=C2)N3C=NN=N3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC=C(C=C2)N3C=NN=N3)Cl

InChI

InChI=1S/C16H18ClN7O/c1-3-4-9-23-15(17)14(11(2)20-23)16(25)19-12-5-7-13(8-6-12)24-10-18-21-22-24/h5-8,10H,3-4,9H2,1-2H3,(H,19,25)