4,7-dimethyl-5-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 4,7-dimethyl-5-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 4,7-dimethyl-5-(2-methylallyloxy)-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]chromen-2-one CAS Name: 4,7-dimethyl-5-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 4,7-dimethyl-5-(2-methylprop-2-enoxy)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-4,7-dimethyl-5-(2-methylallyloxy)coumarin Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C)C(=C1)OCC(=C)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C)C(=C1)OCC(=C)C

InChI

InChI=1S/C26H29N3O4/c1-17(2)16-32-21-13-18(3)14-22-25(21)19(4)20(26(31)33-22)15-24(30)29-11-9-28(10-12-29)23-7-5-6-8-27-23/h5-8,13-14H,1,9-12,15-16H2,2-4H3