N-(6-azanylhexyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propyl-pyrazole-4-carboxamide

Systemtic Name: N-(6-azanylhexyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propyl-pyrazole-4-carboxamide Openeye Name: N-(6-aminohexyl)-1-[4-(4-bromophenyl)thiazol-2-yl]-5-propyl-pyrazole-4-carboxamide CAS Name: N-(6-aminohexyl)-1-[4-(4-bromophenyl)-2-thiazolyl]-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-(6-aminohexyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propylpyrazole-4-carboxamide Traditional Name: N-(6-aminohexyl)-1-[4-(4-bromophenyl)thiazol-2-yl]-5-propyl-pyrazole-4-carboxamide Formula: C22H28BrN5OS MolecularWeight: 490.45962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=NC(=CS2)C3=CC=C(C=C3)Br)C(=O)NCCCCCCN

Isomeric SMILES

CCCC1=C(C=NN1C2=NC(=CS2)C3=CC=C(C=C3)Br)C(=O)NCCCCCCN

InChI

InChI=1S/C22H28BrN5OS/c1-2-7-20-18(21(29)25-13-6-4-3-5-12-24)14-26-28(20)22-27-19(15-30-22)16-8-10-17(23)11-9-16/h8-11,14-15H,2-7,12-13,24H2,1H3,(H,25,29)