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

Systemtic Name: 1,4-dimethyl-3-(phenylmethyl)-5,7-bis(2H-1,2,3,4-tetrazol-5-ylmethoxy)quinolin-2-one Openeye Name: 3-benzyl-1,4-dimethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)quinolin-2-one CAS Name: 1,4-dimethyl-3-(phenylmethyl)-5,7-bis(2H-tetrazol-5-ylmethoxy)-2-quinolinone IUPAC Name: 3-benzyl-1,4-dimethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)quinolin-2-one Traditional Name: 3-benzyl-1,4-dimethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)carbostyril Formula: C22H21N9O3 MolecularWeight: 459.46064

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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)C)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H21N9O3/c1-13-16(8-14-6-4-3-5-7-14)22(32)31(2)17-9-15(33-11-19-23-27-28-24-19)10-18(21(13)17)34-12-20-25-29-30-26-20/h3-7,9-10H,8,11-12H2,1-2H3,(H,23,24,27,28)(H,25,26,29,30)