4-[2-(4-hexanoylpiperazin-1-yl)ethylamino]chromen-2-one

Systemtic Name: 4-[2-(4-hexanoylpiperazin-1-yl)ethylamino]chromen-2-one Openeye Name: 4-[2-(4-hexanoylpiperazin-1-yl)ethylamino]chromen-2-one CAS Name: 4-[2-[4-(1-oxohexyl)-1-piperazinyl]ethylamino]-1-benzopyran-2-one IUPAC Name: 4-[2-(4-hexanoylpiperazin-1-yl)ethylamino]chromen-2-one Traditional Name: 4-[2-(4-caproylpiperazino)ethylamino]coumarin Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)CCNC2=CC(=O)OC3=CC=CC=C32

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)CCNC2=CC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C21H29N3O3/c1-2-3-4-9-20(25)24-14-12-23(13-15-24)11-10-22-18-16-21(26)27-19-8-6-5-7-17(18)19/h5-8,16,22H,2-4,9-15H2,1H3