3-[[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one

Systemtic Name: 3-[[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one Openeye Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(2-thienylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one CAS Name: 3-[[(1-tert-butyl-5-tetrazolyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one IUPAC Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one Traditional Name: 3-[[(1-tert-butyltetrazol-5-yl)methyl-(2-thenyl)amino]methyl]-6-methoxy-carbostyril Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)CN(CC2=CC=CS2)CC3=CC4=C(C=CC(=C4)OC)NC3=O

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)CN(CC2=CC=CS2)CC3=CC4=C(C=CC(=C4)OC)NC3=O

InChI

InChI=1S/C22H26N6O2S/c1-22(2,3)28-20(24-25-26-28)14-27(13-18-6-5-9-31-18)12-16-10-15-11-17(30-4)7-8-19(15)23-21(16)29/h5-11H,12-14H2,1-4H3,(H,23,29)