3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-phenethyl-amino]methyl]-5,8-dimethyl-1H-quinolin-2-one

Systemtic Name: 3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-phenethyl-amino]methyl]-5,8-dimethyl-1H-quinolin-2-one Openeye Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-phenethyl-amino]methyl]-5,8-dimethyl-1H-quinolin-2-one CAS Name: 3-[[(1-cyclohexyl-5-tetrazolyl)methyl-phenethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one IUPAC Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-phenethylamino]methyl]-5,8-dimethyl-1H-quinolin-2-one Traditional Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-phenethyl-amino]methyl]-5,8-dimethyl-carbostyril Formula: C28H34N6O MolecularWeight: 470.60916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

InChI

InChI=1S/C28H34N6O/c1-20-13-14-21(2)27-25(20)17-23(28(35)29-27)18-33(16-15-22-9-5-3-6-10-22)19-26-30-31-32-34(26)24-11-7-4-8-12-24/h3,5-6,9-10,13-14,17,24H,4,7-8,11-12,15-16,18-19H2,1-2H3,(H,29,35)