N-[2-(azepan-1-yl)phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=CC=C3N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=CC=C3N4CCCCCC4)C

InChI

InChI=1S/C21H25N5O/c1-15-13-16(2)26-20(23-15)17(14-22-26)21(27)24-18-9-5-6-10-19(18)25-11-7-3-4-8-12-25/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,24,27)