3-(4-chlorophenyl)-2,5-dimethyl-N-octyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-(4-chlorophenyl)-2,5-dimethyl-N-octyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-(4-chlorophenyl)-2,5-dimethyl-N-octyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-(4-chlorophenyl)-2,5-dimethyl-N-octyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-(4-chlorophenyl)-2,5-dimethyl-N-octylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-octyl-amine Formula: C22H29ClN4 MolecularWeight: 384.94546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCCCNC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H29ClN4/c1-4-5-6-7-8-9-14-24-20-15-16(2)25-22-21(17(3)26-27(20)22)18-10-12-19(23)13-11-18/h10-13,15,24H,4-9,14H2,1-3H3