8-[[(4-fluorophenyl)methyl-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

Systemtic Name: 8-[[(4-fluorophenyl)methyl-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one Openeye Name: 8-[[(4-fluorophenyl)methyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one CAS Name: 8-[[(4-fluorophenyl)methyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one IUPAC Name: 8-[[(4-fluorophenyl)methyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one Traditional Name: 8-[[(4-fluorobenzyl)-[(1-p-anisyltetrazol-5-yl)methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one Formula: C29H27FN6O4 MolecularWeight: 542.560883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NN=N2)CN(CC3=CC=C(C=C3)F)CC4=CC5=CC6=C(C=C5NC4=O)OCCO6

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NN=N2)CN(CC3=CC=C(C=C3)F)CC4=CC5=CC6=C(C=C5NC4=O)OCCO6

InChI

InChI=1S/C29H27FN6O4/c1-38-24-8-4-20(5-9-24)16-36-28(32-33-34-36)18-35(15-19-2-6-23(30)7-3-19)17-22-12-21-13-26-27(40-11-10-39-26)14-25(21)31-29(22)37/h2-9,12-14H,10-11,15-18H2,1H3,(H,31,37)