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

Systemtic Name: 4-methyl-7-(2-methylprop-2-enoxy)-3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]chromen-2-one Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-4-methyl-7-(2-methylallyloxy)chromen-2-one CAS Name: 4-methyl-7-(2-methylprop-2-enoxy)-3-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1-benzopyran-2-one IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 3-[3-(4-benzylpiperazino)-3-keto-propyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C28H32N2O4 MolecularWeight: 460.56468

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4/c1-20(2)19-33-23-9-10-24-21(3)25(28(32)34-26(24)17-23)11-12-27(31)30-15-13-29(14-16-30)18-22-7-5-4-6-8-22/h4-10,17H,1,11-16,18-19H2,2-3H3