8-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-4-methyl-7-propoxy-chromen-2-one

Systemtic Name: 8-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-4-methyl-7-propoxy-chromen-2-one Openeye Name: 8-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-4-methyl-7-propoxy-chromen-2-one CAS Name: 8-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-4-methyl-7-propoxy-1-benzopyran-2-one IUPAC Name: 8-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-4-methyl-7-propoxychromen-2-one Traditional Name: 8-[[4-(4-acetylphenyl)piperazino]methyl]-4-methyl-7-propoxy-coumarin Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C1)C(=CC(=O)O2)C)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCCOC1=C(C2=C(C=C1)C(=CC(=O)O2)C)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H30N2O4/c1-4-15-31-24-10-9-22-18(2)16-25(30)32-26(22)23(24)17-27-11-13-28(14-12-27)21-7-5-20(6-8-21)19(3)29/h5-10,16H,4,11-15,17H2,1-3H3