3-[azepan-1-yl-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one

Systemtic Name: 3-[azepan-1-yl-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one Openeye Name: 3-[azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one CAS Name: 3-[1-azepanyl-(1-cyclohexyl-5-tetrazolyl)methyl]-6,7-dimethoxy-1H-quinolin-2-one IUPAC Name: 3-[azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one Traditional Name: 3-[azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-6,7-dimethoxy-carbostyril Formula: C25H34N6O3 MolecularWeight: 466.57586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)C(C3=NN=NN3C4CCCCC4)N5CCCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)C(C3=NN=NN3C4CCCCC4)N5CCCCCC5)OC

InChI

InChI=1S/C25H34N6O3/c1-33-21-15-17-14-19(25(32)26-20(17)16-22(21)34-2)23(30-12-8-3-4-9-13-30)24-27-28-29-31(24)18-10-6-5-7-11-18/h14-16,18,23H,3-13H2,1-2H3,(H,26,32)