4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=CC(=C4C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=CC(=C4C)C)O

InChI

InChI=1S/C24H28N2O3/c1-4-18-12-20-19(13-24(28)29-23(20)14-22(18)27)15-25-8-10-26(11-9-25)21-7-5-6-16(2)17(21)3/h5-7,12-14,27H,4,8-11,15H2,1-3H3