6-chloranyl-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-7-(2-methylprop-2-enoxy)chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 6-chloro-4-methyl-7-(2-methylallyloxy)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]chromen-2-one CAS Name: 6-chloro-4-methyl-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-(4-methylpiperazino)ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H25ClN2O4/c1-13(2)12-27-19-11-18-15(9-17(19)22)14(3)16(21(26)28-18)10-20(25)24-7-5-23(4)6-8-24/h9,11H,1,5-8,10,12H2,2-4H3