4-[2-[4-[2-(3,5-dimethylphenoxy)ethanoyl]piperazin-1-yl]ethylamino]chromen-2-one

Systemtic Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)ethanoyl]piperazin-1-yl]ethylamino]chromen-2-one Openeye Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethylamino]chromen-2-one CAS Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)-1-oxoethyl]-1-piperazinyl]ethylamino]-1-benzopyran-2-one IUPAC Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethylamino]chromen-2-one Traditional Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazino]ethylamino]coumarin Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)CCNC3=CC(=O)OC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)CCNC3=CC(=O)OC4=CC=CC=C43)C

InChI

InChI=1S/C25H29N3O4/c1-18-13-19(2)15-20(14-18)31-17-24(29)28-11-9-27(10-12-28)8-7-26-22-16-25(30)32-23-6-4-3-5-21(22)23/h3-6,13-16,26H,7-12,17H2,1-2H3