[7-chloranyl-9-(3-methoxyphenyl)-9-oxidanyl-xanthen-3-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [7-chloranyl-9-(3-methoxyphenyl)-9-oxidanyl-xanthen-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [7-chloro-9-hydroxy-9-(3-methoxyphenyl)xanthen-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [7-chloro-9-hydroxy-9-(3-methoxyphenyl)-3-xanthenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [7-chloro-9-hydroxy-9-(3-methoxyphenyl)xanthen-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [7-chloro-9-hydroxy-9-(3-methoxyphenyl)xanthen-3-yl]-(4-methylpiperazino)methanone Formula: C26H25ClN2O4 MolecularWeight: 464.9407

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(C4=C(O3)C=CC(=C4)Cl)(C5=CC(=CC=C5)OC)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(C4=C(O3)C=CC(=C4)Cl)(C5=CC(=CC=C5)OC)O

InChI

InChI=1S/C26H25ClN2O4/c1-28-10-12-29(13-11-28)25(30)17-6-8-21-24(14-17)33-23-9-7-19(27)16-22(23)26(21,31)18-4-3-5-20(15-18)32-2/h3-9,14-16,31H,10-13H2,1-2H3