N-(6-azanylhexyl)-2-(4-chlorophenyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: N-(6-azanylhexyl)-2-(4-chlorophenyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: N-(6-aminohexyl)-2-(4-chlorophenyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: N-(6-aminohexyl)-2-(4-chlorophenyl)-7-propyl-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(6-aminohexyl)-2-(4-chlorophenyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-(6-aminohexyl)-2-(4-chlorophenyl)-7-propyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C22H28ClN5O MolecularWeight: 413.94362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NC2=CC(=NN21)C3=CC=C(C=C3)Cl)C(=O)NCCCCCCN

Isomeric SMILES

CCCC1=C(C=NC2=CC(=NN21)C3=CC=C(C=C3)Cl)C(=O)NCCCCCCN

InChI

InChI=1S/C22H28ClN5O/c1-2-7-20-18(22(29)25-13-6-4-3-5-12-24)15-26-21-14-19(27-28(20)21)16-8-10-17(23)11-9-16/h8-11,14-15H,2-7,12-13,24H2,1H3,(H,25,29)