3'-(bromomethyl)-6'-[bromomethyl(cyclohexyl)amino]-2'-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 3'-(bromomethyl)-6'-[bromomethyl(cyclohexyl)amino]-2'-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 2'-anilino-3'-(bromomethyl)-6'-[bromomethyl(cyclohexyl)amino]spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 2'-anilino-3'-(bromomethyl)-6'-[bromomethyl(cyclohexyl)amino]-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 2'-anilino-3'-(bromomethyl)-6'-[bromomethyl(cyclohexyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 2'-anilino-3'-(bromomethyl)-6'-[bromomethyl(cyclohexyl)amino]spiro[phthalan-3,9'-xanthene]-1-one Formula: C34H30Br2N2O3 MolecularWeight: 674.4216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CBr)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=CC(=C(C=C6O3)CBr)NC7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)N(CBr)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=CC(=C(C=C6O3)CBr)NC7=CC=CC=C7

InChI

InChI=1S/C34H30Br2N2O3/c35-20-22-17-31-29(19-30(22)37-23-9-3-1-4-10-23)34(27-14-8-7-13-26(27)33(39)41-34)28-16-15-25(18-32(28)40-31)38(21-36)24-11-5-2-6-12-24/h1,3-4,7-10,13-19,24,37H,2,5-6,11-12,20-21H2