6-(bromomethyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxidanyl-chromen-4-one

Systemtic Name: 6-(bromomethyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxidanyl-chromen-4-one Openeye Name: 6-(bromomethyl)-3-hydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one CAS Name: 6-(bromomethyl)-3-hydroxy-2-[4-(4-methyl-1-piperazinyl)phenyl]-1-benzopyran-4-one IUPAC Name: 6-(bromomethyl)-3-hydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one Traditional Name: 6-(bromomethyl)-3-hydroxy-2-[4-(4-methylpiperazino)phenyl]chromone Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C(=O)C4=C(O3)C=CC(=C4)CBr)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C(=O)C4=C(O3)C=CC(=C4)CBr)O

InChI

InChI=1S/C21H21BrN2O3/c1-23-8-10-24(11-9-23)16-5-3-15(4-6-16)21-20(26)19(25)17-12-14(13-22)2-7-18(17)27-21/h2-7,12,26H,8-11,13H2,1H3