2-[3-bromanyl-7-(2,4-dimethylphenyl)-2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[3-bromanyl-7-(2,4-dimethylphenyl)-2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[3-bromo-7-(2,4-dimethylphenyl)-2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanecarboxylic acid CAS Name: 2-[3-bromo-7-(2,4-dimethylphenyl)-2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[3-bromo-7-(2,4-dimethylphenyl)-2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-[3-bromo-7-(2,4-dimethylphenyl)-2-phenyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanecarboxylic acid Formula: C24H26BrN3O2 MolecularWeight: 468.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CC(NC3N2NC(=C3Br)C4=CC=CC=C4)C5CC5C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2CC(NC3N2NC(=C3Br)C4=CC=CC=C4)C5CC5C(=O)O)C

InChI

InChI=1S/C24H26BrN3O2/c1-13-8-9-16(14(2)10-13)20-12-19(17-11-18(17)24(29)30)26-23-21(25)22(27-28(20)23)15-6-4-3-5-7-15/h3-10,17-20,23,26-27H,11-12H2,1-2H3,(H,29,30)