4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(6-chloranyl-2-oxidanylidene-chromen-3-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-(6-chloro-2-oxo-chromen-3-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-chromen-2-one CAS Name: 4-(6-chloro-2-oxo-1-benzopyran-3-yl)-8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(6-chloro-2-oxochromen-3-yl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxychromen-2-one Traditional Name: 4-(6-chloro-2-keto-chromen-3-yl)-8-[(4-ethylpiperazino)methyl]-7-hydroxy-coumarin Formula: C25H23ClN2O5 MolecularWeight: 466.91352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)O

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)O

InChI

InChI=1S/C25H23ClN2O5/c1-2-27-7-9-28(10-8-27)14-20-21(29)5-4-17-18(13-23(30)33-24(17)20)19-12-15-11-16(26)3-6-22(15)32-25(19)31/h3-6,11-13,29H,2,7-10,14H2,1H3