ethyl 1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(1-cyclohexyl-5-tetrazolyl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-cyclohexyltetrazol-5-yl)-(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(1-cyclohexyltetrazol-5-yl)-(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]isonipecotic acid ethyl ester Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCCC4)N5CCC(CC5)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCCC4)N5CCC(CC5)C(=O)OCC

InChI

InChI=1S/C27H36N6O3/c1-3-18-10-11-23-20(16-18)17-22(26(34)28-23)24(32-14-12-19(13-15-32)27(35)36-4-2)25-29-30-31-33(25)21-8-6-5-7-9-21/h10-11,16-17,19,21,24H,3-9,12-15H2,1-2H3,(H,28,34)