N-(4-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-isopropyl-5-methyl-N-(3-morpholinopropyl)pyrazole-3-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-[3-(4-morpholinyl)propyl]-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-1-isopropyl-5-methyl-N-(3-morpholinopropyl)pyrazole-3-carboxamide Formula: C22H28FN5O2S MolecularWeight: 445.553423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C)C(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H28FN5O2S/c1-15(2)28-16(3)14-18(25-28)21(29)27(9-5-8-26-10-12-30-13-11-26)22-24-20-17(23)6-4-7-19(20)31-22/h4,6-7,14-15H,5,8-13H2,1-3H3