6-chloranyl-4-methyl-7-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one Openeye Name: 6-chloro-4-methyl-7-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethoxy]chromen-2-one CAS Name: 6-chloro-4-methyl-7-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one Traditional Name: 6-chloro-7-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethoxy]-4-methyl-coumarin Formula: C22H22ClN3O4 MolecularWeight: 427.88078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H22ClN3O4/c1-15-10-22(28)30-19-12-20(18(23)11-17(15)19)29-14-21(27)26-8-6-25(7-9-26)13-16-2-4-24-5-3-16/h2-5,10-12H,6-9,13-14H2,1H3