3-[azepan-1-yl-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one

Systemtic Name: 3-[azepan-1-yl-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one Openeye Name: 3-[azepan-1-yl-[1-(1,1-dimethylpropyl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one CAS Name: 3-[1-azepanyl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-6-ethoxy-1H-quinolin-2-one IUPAC Name: 3-[azepan-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one Traditional Name: 3-[(1-tert-amyltetrazol-5-yl)-(azepan-1-yl)methyl]-6-ethoxy-carbostyril Formula: C24H34N6O2 MolecularWeight: 438.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=CC(=C3)OCC)NC2=O)N4CCCCCC4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=CC(=C3)OCC)NC2=O)N4CCCCCC4

InChI

InChI=1S/C24H34N6O2/c1-5-24(3,4)30-22(26-27-28-30)21(29-13-9-7-8-10-14-29)19-16-17-15-18(32-6-2)11-12-20(17)25-23(19)31/h11-12,15-16,21H,5-10,13-14H2,1-4H3,(H,25,31)