3-(4-chlorophenyl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-4-one; perchloric acid

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-4-one; perchloric acid Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one; perchloric acid CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-1-benzopyran-4-one; perchloric acid IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one; perchloric acid Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazino)methyl]chromone; perchloric acid Formula: C21H22Cl2N2O7 MolecularWeight: 485.31458

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O.OCl(=O)(=O)=O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O.OCl(=O)(=O)=O

InChI

InChI=1S/C21H21ClN2O3.ClHO4/c1-23-8-10-24(11-9-23)12-17-19(25)7-6-16-20(26)18(13-27-21(16)17)14-2-4-15(22)5-3-14;2-1(3,4)5/h2-7,13,25H,8-12H2,1H3;(H,2,3,4,5)