3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-phenethyl-amino]methyl]-6-ethyl-1H-quinolin-2-one

Systemtic Name: 3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-phenethyl-amino]methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-phenethyl-amino]methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[[(1-cyclohexyl-5-tetrazolyl)methyl-phenethylamino]methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-phenethylamino]methyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-phenethyl-amino]methyl]-6-ethyl-carbostyril Formula: C28H34N6O MolecularWeight: 470.60916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

InChI

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