4-methyl-8-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-7-propoxy-chromen-2-one

Systemtic Name: 4-methyl-8-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-7-propoxy-chromen-2-one Openeye Name: 8-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-4-methyl-7-propoxy-chromen-2-one CAS Name: 4-methyl-8-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-7-propoxy-1-benzopyran-2-one IUPAC Name: 4-methyl-8-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-7-propoxychromen-2-one Traditional Name: 8-[[4-[(E)-cinnamyl]piperazino]methyl]-4-methyl-7-propoxy-coumarin Formula: C27H32N2O3 MolecularWeight: 432.55458

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)CC=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3/c1-3-18-31-25-12-11-23-21(2)19-26(30)32-27(23)24(25)20-29-16-14-28(15-17-29)13-7-10-22-8-5-4-6-9-22/h4-12,19H,3,13-18,20H2,1-2H3/b10-7+