ethyl 1-[3-quinolin-8-yl-5-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-quinolin-8-yl-5-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(8-quinolyl)-5-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-(8-quinolinyl)-5-(1-tetrazolyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-quinolin-8-yl-5-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(8-quinolyl)-5-(tetrazol-1-yl)benzoyl]nipecotic acid ethyl ester Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC(=C2)C3=CC=CC4=C3N=CC=C4)N5C=NN=N5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC(=C2)C3=CC=CC4=C3N=CC=C4)N5C=NN=N5

InChI

InChI=1S/C25H24N6O3/c1-2-34-25(33)18-8-5-11-30(15-18)24(32)20-12-19(13-21(14-20)31-16-27-28-29-31)22-9-3-6-17-7-4-10-26-23(17)22/h3-4,6-7,9-10,12-14,16,18H,2,5,8,11,15H2,1H3