4-bromanyl-N-[3-(furan-2-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(furan-2-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(2-furylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-[(2-furanylmethylamino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(furan-2-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(2-furfurylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-1-methyl-pyrazole-3-carboxamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NCC4=CC=CO4)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NCC4=CC=CO4)Br

InChI

InChI=1S/C20H21BrN4O3S/c1-25-11-14(21)17(24-25)19(27)23-20-16(13-7-3-2-4-8-15(13)29-20)18(26)22-10-12-6-5-9-28-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,22,26)(H,23,27)