4-methyl-3-phenethyl-1-(phenylmethyl)-5,7-bis(2H-1,2,3,4-tetrazol-5-ylmethoxy)quinolin-2-one

Systemtic Name: 4-methyl-3-phenethyl-1-(phenylmethyl)-5,7-bis(2H-1,2,3,4-tetrazol-5-ylmethoxy)quinolin-2-one Openeye Name: 1-benzyl-4-methyl-3-phenethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)quinolin-2-one CAS Name: 4-methyl-3-phenethyl-1-(phenylmethyl)-5,7-bis(2H-tetrazol-5-ylmethoxy)-2-quinolinone IUPAC Name: 1-benzyl-4-methyl-3-phenethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)quinolin-2-one Traditional Name: 1-benzyl-4-methyl-3-phenethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)carbostyril Formula: C29H27N9O3 MolecularWeight: 549.58318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=CC(=CC(=C12)OCC3=NNN=N3)OCC4=NNN=N4)CC5=CC=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N(C2=CC(=CC(=C12)OCC3=NNN=N3)OCC4=NNN=N4)CC5=CC=CC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C29H27N9O3/c1-19-23(13-12-20-8-4-2-5-9-20)29(39)38(16-21-10-6-3-7-11-21)24-14-22(40-17-26-30-34-35-31-26)15-25(28(19)24)41-18-27-32-36-37-33-27/h2-11,14-15H,12-13,16-18H2,1H3,(H,30,31,34,35)(H,32,33,36,37)