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

Systemtic Name: N-(6-azanylhexyl)-1-(4-phenyl-1,3-thiazol-2-yl)-5-propyl-pyrazole-4-carboxamide Openeye Name: N-(6-aminohexyl)-1-(4-phenylthiazol-2-yl)-5-propyl-pyrazole-4-carboxamide CAS Name: N-(6-aminohexyl)-1-(4-phenyl-2-thiazolyl)-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-(6-aminohexyl)-1-(4-phenyl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carboxamide Traditional Name: N-(6-aminohexyl)-1-(4-phenylthiazol-2-yl)-5-propyl-pyrazole-4-carboxamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5OS/c1-2-10-20-18(21(28)24-14-9-4-3-8-13-23)15-25-27(20)22-26-19(16-29-22)17-11-6-5-7-12-17/h5-7,11-12,15-16H,2-4,8-10,13-14,23H2,1H3,(H,24,28)