4-methyl-7-[2-oxidanylidene-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-oxidanylidene-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-oxo-2-[4-(8-quinolylmethyl)piperazin-1-yl]ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-oxo-2-[4-(8-quinolinylmethyl)-1-piperazinyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-[4-(8-quinolylmethyl)piperazino]ethoxy]-4-methyl-coumarin Formula: C26H25N3O4 MolecularWeight: 443.4944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H25N3O4/c1-18-14-25(31)33-23-15-21(7-8-22(18)23)32-17-24(30)29-12-10-28(11-13-29)16-20-5-2-4-19-6-3-9-27-26(19)20/h2-9,14-15H,10-13,16-17H2,1H3