3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one

Systemtic Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]-4-methyl-7-(2-methylallyloxy)chromen-2-one CAS Name: 3-[3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl]-4-methyl-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 3-[3-[4-(4-fluorophenyl)piperazino]-3-keto-propyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C27H29FN2O4 MolecularWeight: 464.528563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN2O4/c1-18(2)17-33-22-8-9-23-19(3)24(27(32)34-25(23)16-22)10-11-26(31)30-14-12-29(13-15-30)21-6-4-20(28)5-7-21/h4-9,16H,1,10-15,17H2,2-3H3