2-(4-bromophenyl)-9-chloranyl-1'-(phenylmethyl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

Systemtic Name: 2-(4-bromophenyl)-9-chloranyl-1'-(phenylmethyl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] Openeye Name: 1'-benzyl-2-(4-bromophenyl)-9-chloro-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] CAS Name: 2-(4-bromophenyl)-9-chloro-1'-(phenylmethyl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] IUPAC Name: 1'-benzyl-2-(4-bromophenyl)-9-chlorospiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] Traditional Name: 1'-benzyl-2-(4-bromophenyl)-9-chloro-spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] Formula: C27H25BrClN3O MolecularWeight: 522.8639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N3C(C=C(N3)C4=CC=C(C=C4)Br)C5=C(O2)C=CC(=C5)Cl)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC12N3C(C=C(N3)C4=CC=C(C=C4)Br)C5=C(O2)C=CC(=C5)Cl)CC6=CC=CC=C6

InChI

InChI=1S/C27H25BrClN3O/c28-21-8-6-20(7-9-21)24-17-25-23-16-22(29)10-11-26(23)33-27(32(25)30-24)12-14-31(15-13-27)18-19-4-2-1-3-5-19/h1-11,16-17,25,30H,12-15,18H2