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

Systemtic Name: 6-chloranyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 6-chloro-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-methyl-7-(2-methylallyloxy)chromen-2-one CAS Name: 6-chloro-3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-methyl-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 6-chloro-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C27H29ClN2O5 MolecularWeight: 496.98256

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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)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C27H29ClN2O5/c1-17(2)16-34-25-15-24-19(13-21(25)28)18(3)20(27(32)35-24)14-26(31)30-11-9-29(10-12-30)22-7-5-6-8-23(22)33-4/h5-8,13,15H,1,9-12,14,16H2,2-4H3