N-[3-(azepan-1-ylsulfonyl)phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C21H25N5O3S/c1-15-12-16(2)26-20(23-15)19(14-22-26)21(27)24-17-8-7-9-18(13-17)30(28,29)25-10-5-3-4-6-11-25/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,24,27)