3-bromanyl-7-(3,4-dimethoxyphenyl)-2-phenyl-5-pyridin-2-yl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-bromanyl-7-(3,4-dimethoxyphenyl)-2-phenyl-5-pyridin-2-yl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine Openeye Name: 3-bromo-7-(3,4-dimethoxyphenyl)-2-phenyl-5-(2-pyridyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine CAS Name: 3-bromo-7-(3,4-dimethoxyphenyl)-2-phenyl-5-(2-pyridinyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine IUPAC Name: 3-bromo-7-(3,4-dimethoxyphenyl)-2-phenyl-5-pyridin-2-yl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine Traditional Name: 3-bromo-7-(3,4-dimethoxyphenyl)-2-phenyl-5-(2-pyridyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine Formula: C25H23BrN4O2 MolecularWeight: 491.37972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(N=C3N2NC(=C3Br)C4=CC=CC=C4)C5=CC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(N=C3N2NC(=C3Br)C4=CC=CC=C4)C5=CC=CC=N5)OC

InChI

InChI=1S/C25H23BrN4O2/c1-31-21-12-11-17(14-22(21)32-2)20-15-19(18-10-6-7-13-27-18)28-25-23(26)24(29-30(20)25)16-8-4-3-5-9-16/h3-14,19-20,29H,15H2,1-2H3