[3-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone CAS Name: [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone Formula: C29H27BrF3N5OS MolecularWeight: 630.52179

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C5=NC(CC(N5N4)C(F)(F)F)C6=CC=CS6)Br

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C5=NC(CC(N5N4)C(F)(F)F)C6=CC=CS6)Br

InChI

InChI=1S/C29H27BrF3N5OS/c30-24-25(35-38-23(29(31,32)33)18-21(34-27(24)38)22-12-7-17-40-22)28(39)37-15-13-36(14-16-37)26(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,21,23,26,35H,13-16,18H2