(7-chloranyl-9-ethyl-9-oxidanyl-xanthen-3-yl)-(4-methylpiperazin-1-yl)methanone

Systemtic Name: (7-chloranyl-9-ethyl-9-oxidanyl-xanthen-3-yl)-(4-methylpiperazin-1-yl)methanone Openeye Name: (7-chloro-9-ethyl-9-hydroxy-xanthen-3-yl)-(4-methylpiperazin-1-yl)methanone CAS Name: (7-chloro-9-ethyl-9-hydroxy-3-xanthenyl)-(4-methyl-1-piperazinyl)methanone IUPAC Name: (7-chloro-9-ethyl-9-hydroxyxanthen-3-yl)-(4-methylpiperazin-1-yl)methanone Traditional Name: (7-chloro-9-ethyl-9-hydroxy-xanthen-3-yl)-(4-methylpiperazino)methanone Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)OC4=C1C=C(C=C4)Cl)O

Isomeric SMILES

CCC1(C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)OC4=C1C=C(C=C4)Cl)O

InChI

InChI=1S/C21H23ClN2O3/c1-3-21(26)16-6-4-14(20(25)24-10-8-23(2)9-11-24)12-19(16)27-18-7-5-15(22)13-17(18)21/h4-7,12-13,26H,3,8-11H2,1-2H3